The full dataset viewer is not available (click to read why). Only showing a preview of the rows.
The dataset generation failed because of a cast error
Error code:   DatasetGenerationCastError
Exception:    DatasetGenerationCastError
Message:      An error occurred while generating the dataset

All the data files must have the same columns, but at some point there are 3 new columns ({'category', 'Unnamed: 0.1', 'Unnamed: 0.2'}) and 4 missing columns ({'extra_4', 'extra_3', 'extra_2', 'extra_1'}).

This happened while the csv dataset builder was generating data using

hf://datasets/Bowen999/lipids_ms2/test_dec.csv (at revision cf70d33c94c5bb672759e18aa70b832c825d0966)

Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)
Traceback:    Traceback (most recent call last):
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1831, in _prepare_split_single
                  writer.write_table(table)
                File "/usr/local/lib/python3.12/site-packages/datasets/arrow_writer.py", line 714, in write_table
                  pa_table = table_cast(pa_table, self._schema)
                             ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2272, in table_cast
                  return cast_table_to_schema(table, schema)
                         ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2218, in cast_table_to_schema
                  raise CastError(
              datasets.table.CastError: Couldn't cast
              Unnamed: 0.2: int64
              Unnamed: 0.1: int64
              Unnamed: 0: int64
              index: string
              name: string
              simple_name: string
              class: string
              chain: string
              num_chain: int64
              num_c: double
              num_db: double
              num_c_1: double
              num_db_1: double
              num_c_2: double
              num_db_2: double
              num_c_3: double
              num_db_3: double
              num_c_4: double
              num_db_4: double
              precursor_mz: double
              adduct: string
              ion_mode: string
              charge: double
              smiles: string
              inchi: string
              inchikey: string
              inchikey_main: string
              exact_mass: double
              formula: string
              synonyms: string
              retention_time: double
              num_peaks: int64
              lib_quality: double
              source: string
              spectrum_id: string
              ms_level: double
              instrument: string
              energy: double
              MS2: string
              ref: string
              MS2_norm: string
              category: string
              -- schema metadata --
              pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 5125
              to
              {'Unnamed: 0': Value('int64'), 'index': Value('string'), 'name': Value('string'), 'simple_name': Value('string'), 'class': Value('string'), 'chain': Value('string'), 'num_chain': Value('int64'), 'num_c': Value('float64'), 'num_db': Value('float64'), 'num_c_1': Value('float64'), 'num_db_1': Value('float64'), 'extra_1': Value('float64'), 'num_c_2': Value('float64'), 'num_db_2': Value('float64'), 'extra_2': Value('float64'), 'num_c_3': Value('float64'), 'num_db_3': Value('float64'), 'extra_3': Value('float64'), 'num_c_4': Value('float64'), 'num_db_4': Value('float64'), 'extra_4': Value('float64'), 'precursor_mz': Value('float64'), 'adduct': Value('string'), 'ion_mode': Value('string'), 'charge': Value('float64'), 'smiles': Value('string'), 'inchi': Value('string'), 'inchikey': Value('string'), 'inchikey_main': Value('string'), 'exact_mass': Value('float64'), 'formula': Value('string'), 'synonyms': Value('string'), 'retention_time': Value('float64'), 'num_peaks': Value('int64'), 'lib_quality': Value('float64'), 'source': Value('string'), 'spectrum_id': Value('string'), 'ms_level': Value('float64'), 'instrument': Value('string'), 'energy': Value('float64'), 'MS2': Value('string'), 'ref': Value('string'), 'MS2_norm': Value('string')}
              because column names don't match
              
              During handling of the above exception, another exception occurred:
              
              Traceback (most recent call last):
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1339, in compute_config_parquet_and_info_response
                  parquet_operations = convert_to_parquet(builder)
                                       ^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 972, in convert_to_parquet
                  builder.download_and_prepare(
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 894, in download_and_prepare
                  self._download_and_prepare(
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 970, in _download_and_prepare
                  self._prepare_split(split_generator, **prepare_split_kwargs)
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1702, in _prepare_split
                  for job_id, done, content in self._prepare_split_single(
                                               ^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1833, in _prepare_split_single
                  raise DatasetGenerationCastError.from_cast_error(
              datasets.exceptions.DatasetGenerationCastError: An error occurred while generating the dataset
              
              All the data files must have the same columns, but at some point there are 3 new columns ({'category', 'Unnamed: 0.1', 'Unnamed: 0.2'}) and 4 missing columns ({'extra_4', 'extra_3', 'extra_2', 'extra_1'}).
              
              This happened while the csv dataset builder was generating data using
              
              hf://datasets/Bowen999/lipids_ms2/test_dec.csv (at revision cf70d33c94c5bb672759e18aa70b832c825d0966)
              
              Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)

Need help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.

Unnamed: 0
int64
index
string
name
string
simple_name
string
class
string
chain
string
num_chain
int64
num_c
float64
num_db
float64
num_c_1
float64
num_db_1
float64
extra_1
null
num_c_2
float64
num_db_2
float64
extra_2
null
num_c_3
float64
num_db_3
float64
extra_3
null
num_c_4
float64
num_db_4
float64
extra_4
null
precursor_mz
float64
adduct
string
ion_mode
string
charge
null
smiles
string
inchi
null
inchikey
string
inchikey_main
string
exact_mass
float64
formula
string
synonyms
null
retention_time
float64
num_peaks
int64
lib_quality
null
source
string
spectrum_id
null
ms_level
null
instrument
null
energy
null
MS2
string
ref
string
MS2_norm
string
0
LP_01269817
DG 19:2_12:0
DG 31:2
DG
12:0_19:2
2
31
2
19
2
null
12
0
null
0
0
null
0
0
null
568.49355
[M+NH4]+
Positive
null
CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC
null
CXFSTVPTVLEDHL-AUGURXLVNA-N
CXFSTVPTVLEDHL
550.459725
C34H62O5
null
5.45
3
null
MS-DIAL
null
null
null
null
[[257.2113, 999], [351.2895, 999], [533.4564, 400], [551.467, 50]]
[19.0, 2.0, 12.0, 0.0, 0.0, 0.0, 0.0, 0.0]
[[257.2113, 100.0], [351.2895, 100.0], [533.4564, 37.0]]
1
LP_00336010
DG 44:4_28:6
DG 72:10
DG
44:4_28:6
2
72
10
44
4
null
28
6
null
0
0
null
0
0
null
1,127.01
[M+NH4]+
Positive
null
CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
HOOGZZNNKJHUPN-FLXJTJDYNA-N
HOOGZZNNKJHUPN
1,108.976177
C75H128O5
null
12.1
3
null
MS-DIAL
null
null
null
null
[[469.368, 999], [697.6495, 999], [1091.973, 400], [1109.983, 50]]
[44.0, 4.0, 28.0, 6.0, 0.0, 0.0, 0.0, 0.0]
[[469.368, 100.0], [697.6495, 100.0], [1091.973, 37.0]]
2
LP_01708825
TG 34:2_18:5_18:5
TG 70:12
TG
18:5_18:5_34:2
3
70
12
34
2
null
18
5
null
18
5
null
0
0
null
1,113.88206
[M+Na]+
Positive
null
CCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
LNFGTEVKEJKXPY-YAGBUMLZNA-N
LNFGTEVKEJKXPY
1,090.892841
C73H118O6
null
12.1
2
null
MS-DIAL
null
null
null
null
[[609.3923, 200], [839.6895, 400], [1113.882, 999]]
[34.0, 2.0, 18.0, 5.0, 18.0, 5.0, 0.0, 0.0]
[[839.6895, 25.0], [1113.882, 100.0]]
3
LP_00730126
TG 24:2_22:6_16:0
TG 62:8
TG
16:0_22:6_24:2
3
62
8
24
2
null
22
6
null
16
0
null
0
0
null
1,009.81946
[M+Na]+
Positive
null
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
WBHNQRYTHCCZNC-AQTPUSMZNA-N
WBHNQRYTHCCZNC
986.830241
C65H110O6
null
11.79
1
null
MS-DIAL
null
null
null
null
[[645.4861, 200], [681.58, 200], [753.58, 200], [1009.819, 999]]
[24.0, 2.0, 22.0, 6.0, 16.0, 0.0, 0.0, 0.0]
[[1009.819, 100.0]]
4
LP_00831953
TG 26:0_24:4_14:0
TG 64:4
TG
14:0_24:4_26:0
3
64
4
26
0
null
24
4
null
14
0
null
0
0
null
1,040.95797
[M+NH4]+
Positive
null
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC
null
HJWLAUOQDFRLPU-AKSMGZLRNA-N
HJWLAUOQDFRLPU
1,022.924142
C67H122O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[627.5349, 999], [663.6288, 999], [795.7226, 999], [1023.931, 50], [1040.958, 100]]
[26.0, 0.0, 24.0, 4.0, 14.0, 0.0, 0.0, 0.0]
[[627.5349, 100.0], [663.6288, 100.0], [795.7226, 100.0], [1040.958, 5.0]]
5
LP_00704648
TG 20:5_16:4_13:1
TG 49:10
TG
13:1_16:4_20:5
3
49
10
20
5
null
16
4
null
13
1
null
0
0
null
823.58471
[M+Na]+
Positive
null
CCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/CC
null
DFOGQSJZEUKLBS-YUYSHYGCNA-N
DFOGQSJZEUKLBS
800.59549
C52H80O6
null
6.99
1
null
MS-DIAL
null
null
null
null
[[521.3608, 200], [575.4077, 200], [611.4077, 200], [823.5847, 999]]
[20.0, 5.0, 16.0, 4.0, 13.0, 1.0, 0.0, 0.0]
[[823.5847, 100.0]]
6
LP_01767063
TG 34:2_20:2_13:1
TG 67:5
TG
13:1_20:2_34:2
3
67
5
34
2
null
20
2
null
13
1
null
0
0
null
1,080.98927
[M+NH4]+
Positive
null
CCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC
null
APCFUJAFCFMWCY-WBMXLHPUNA-N
APCFUJAFCFMWCY
1,062.955442
C70H126O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[559.4724, 999], [755.6913, 999], [851.7852, 999], [1063.963, 50], [1080.989, 100]]
[34.0, 2.0, 20.0, 2.0, 13.0, 1.0, 0.0, 0.0]
[[559.4724, 100.0], [755.6913, 100.0], [851.7852, 100.0], [1080.989, 5.0]]
7
LP_01301112
DGDG 19:1_17:2
DGDG 36:3
DGDG
19:1_17:2
2
36
3
19
1
null
17
2
null
0
0
null
0
0
null
960.6618
[M+NH4]+
Positive
null
CCCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCC
null
GMGVRPJZBFSXDI-BLLZRTNRNA-N
GMGVRPJZBFSXDI
942.627972
C51H90O15
null
4.48
4
null
MS-DIAL
null
null
null
null
[[323.2582, 999], [353.3051, 999], [601.519, 999], [619.5296, 999], [960.6618, 100]]
[19.0, 1.0, 17.0, 2.0, 0.0, 0.0, 0.0, 0.0]
[[323.2582, 100.0], [353.3051, 100.0], [601.519, 100.0], [619.5296, 100.0]]
8
LP_00820594
TG 38:5_20:5_13:0
TG 71:10
TG
13:0_20:5_38:5
3
71
10
38
5
null
20
5
null
13
0
null
0
0
null
1,126.97362
[M+NH4]+
Positive
null
CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
DKMFBJPQXZESQX-AWLOIAKANA-N
DKMFBJPQXZESQX
1,108.939792
C74H124O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[555.4411, 999], [807.7227, 999], [895.7539, 999], [1109.947, 50], [1126.974, 100]]
[38.0, 5.0, 20.0, 5.0, 13.0, 0.0, 0.0, 0.0]
[[555.4411, 100.0], [807.7227, 100.0], [895.7539, 100.0], [1126.974, 5.0]]
9
LP_00365296
PC-O 27:0_22:5
PC-O 49:5
PC-O
22:5_27:0
2
49
5
27
0
null
22
5
null
0
0
null
0
0
null
992.76889
[M+HCOO]-
Negative
null
CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C
null
NVKJPOSBTLIJEG-RACWIYBANA-N
NVKJPOSBTLIJEG
947.770691
C57H106NO7P
null
8.81
5
null
MS-DIAL
null
null
null
null
[[224.0693, 100], [409.4043, 999], [522.3351, 200], [540.3456, 200], [932.7472, 800], [992.7689, 300]]
[27.0, 0.0, 22.0, 5.0, 0.0, 0.0, 0.0, 0.0]
[[409.4043, 100.0], [522.3351, 11.0], [540.3456, 11.0], [932.7472, 78.0], [992.7689, 22.0]]
10
LP_01812632
TG 28:2_25:0_17:1
TG 70:3
TG
17:1_25:0_28:2
3
70
3
28
2
null
25
0
null
17
1
null
0
0
null
1,127.06752
[M+NH4]+
Positive
null
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCC
null
LAMHHSPWLGVUPI-HMKGSFQMNA-N
LAMHHSPWLGVUPI
1,109.033692
C73H136O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[689.6445, 999], [727.6602, 999], [841.8009, 999], [1110.041, 50], [1127.068, 100]]
[28.0, 2.0, 25.0, 0.0, 17.0, 1.0, 0.0, 0.0]
[[689.6445, 100.0], [727.6602, 100.0], [841.8009, 100.0], [1127.068, 5.0]]
11
LP_01667250
TG 26:4_22:0_15:1
TG 63:5
TG
15:1_22:0_26:4
3
63
5
26
4
null
22
0
null
15
1
null
0
0
null
1,029.88206
[M+Na]+
Positive
null
CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/CCCCC
null
RDCDNVQDQZCPRS-BGXQIMEMNA-N
RDCDNVQDQZCPRS
1,006.892841
C66H118O6
null
12.1
1
null
MS-DIAL
null
null
null
null
[[641.5487, 200], [689.5487, 200], [789.6738, 200], [1029.882, 999]]
[26.0, 4.0, 22.0, 0.0, 15.0, 1.0, 0.0, 0.0]
[[1029.882, 100.0]]
12
LP_01699273
TG 23:0_18:1_18:1
TG 59:2
TG
18:1_18:1_23:0
3
59
2
23
0
null
18
1
null
18
1
null
0
0
null
979.86641
[M+Na]+
Positive
null
CCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
null
KHZGQAOPSPPDDO-FOFJVPNENA-N
KHZGQAOPSPPDDO
956.877191
C62H116O6
null
12.1
2
null
MS-DIAL
null
null
null
null
[[625.5174, 200], [697.6113, 400], [979.8664, 999]]
[23.0, 0.0, 18.0, 1.0, 18.0, 1.0, 0.0, 0.0]
[[697.6113, 25.0], [979.8664, 100.0]]
13
LP_00342440
DGCC 28:2_15:1
DGCC 43:3
DGCC
15:1_28:2
2
43
3
28
2
null
15
1
null
0
0
null
0
0
null
876.7287
[M+H]+
Positive
null
CCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCCCC(=O)OC(COC(OCC[N+](C)(C)C)C([O-])=O)COC(=O)CCCCCCC\C=C/CCCCC
null
CWCKQSFFYZGHFN-MHOYKULLNA-N
CWCKQSFFYZGHFN
875.721419
C53H97NO8
null
7.21
3
null
MS-DIAL
null
null
null
null
[[104.107, 200], [132.1019, 100], [456.3322, 50], [474.3428, 50], [636.5199, 50], [654.5305, 50], [876.7287, 999]]
[28.0, 2.0, 15.0, 1.0, 0.0, 0.0, 0.0, 0.0]
[[104.107, 16.0], [132.1019, 5.0], [876.7287, 100.0]]
14
LP_00360275
DGTS 12:0_4:0
DGTS 16:0
DGTS
4:0_12:0
2
16
0
12
0
null
4
0
null
0
0
null
0
0
null
488.35818
[M+H]+
Positive
null
CCCCCCCCCCCC(=O)OC(COCCC(C([O-])=O)[N+](C)(C)C)COC(=O)CCC
null
GHCLAABOORHLGR-UHFFFAOYNA-N
GHCLAABOORHLGR
487.350903
C26H49NO7
null
1.28
6
null
MS-DIAL
null
null
null
null
[[144.1019, 50], [236.1492, 400], [288.1805, 300], [306.1911, 300], [400.3058, 300], [418.3163, 300], [488.3582, 999]]
[12.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0]
[[236.1492, 37.0], [288.1805, 26.0], [306.1911, 26.0], [400.3058, 26.0], [418.3163, 26.0], [488.3582, 100.0]]
15
LP_01630629
TG 37:0_18:3_11:0
TG 66:3
TG
11:0_18:3_37:0
3
66
3
37
0
null
18
3
null
11
0
null
0
0
null
1,075.96031
[M+Na]+
Positive
null
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC
null
VZMZMQSHEYDSRN-KQCSJGCHNA-N
VZMZMQSHEYDSRN
1,052.971092
C69H128O6
null
12.1
1
null
MS-DIAL
null
null
null
null
[[525.3923, 200], [797.7365, 200], [889.799, 200], [1075.96, 999]]
[37.0, 0.0, 18.0, 3.0, 11.0, 0.0, 0.0, 0.0]
[[1075.96, 100.0]]
16
LP_01668312
TG 28:5_26:1_15:1
TG 69:7
TG
15:1_26:1_28:5
3
69
7
28
5
null
26
1
null
15
1
null
0
0
null
1,109.94466
[M+Na]+
Positive
null
CCCCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/CCCCC
null
JPPHJQYAHQYQTK-SDYIIXEYNA-N
JPPHJQYAHQYQTK
1,086.955442
C72H126O6
null
12.1
1
null
MS-DIAL
null
null
null
null
[[695.5956, 200], [715.5644, 200], [869.7364, 200], [1109.945, 999]]
[28.0, 5.0, 26.0, 1.0, 15.0, 1.0, 0.0, 0.0]
[[1109.945, 100.0]]
17
LP_00899823
TG 32:3_22:6_20:5
TG 74:14
TG
20:5_22:6_32:3
3
74
14
32
3
null
22
6
null
20
5
null
0
0
null
1,160.95797
[M+NH4]+
Positive
null
CCCCCCC\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
OACATLVJTLWVDM-VIRURWSVNA-N
OACATLVJTLWVDM
1,142.924142
C77H122O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[669.488, 999], [815.6913, 999], [841.707, 999], [1143.931, 50], [1160.958, 100]]
[32.0, 3.0, 22.0, 6.0, 20.0, 5.0, 0.0, 0.0]
[[669.488, 100.0], [815.6913, 100.0], [841.707, 100.0], [1160.958, 5.0]]
18
LP_01321187
PE-O 19:2_16:4
PE-O 35:6
PE-O
16:4_19:2
2
35
6
19
2
null
16
4
null
0
0
null
0
0
null
706.48171
[M-H]-
Negative
null
CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN
null
YQTUCIIWXQKVNC-QLKFEFAKNA-N
YQTUCIIWXQKVNC
707.48899
C40H70NO7P
null
3.84
2
null
MS-DIAL
null
null
null
null
[[293.2479, 999], [430.236, 250], [706.4817, 500]]
[19.0, 2.0, 16.0, 4.0, 0.0, 0.0, 0.0, 0.0]
[[293.2479, 100.0], [706.4817, 33.0]]
19
LP_01765057
TG 28:2_16:0_13:1
TG 57:3
TG
13:1_16:0_28:2
3
57
3
28
2
null
16
0
null
13
1
null
0
0
null
944.86407
[M+NH4]+
Positive
null
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCC)COC(=O)CCCCCCC\C=C/CCC
null
UTVTXTQXJVJFQN-XOQNKROQNA-N
UTVTXTQXJVJFQN
926.830241
C60H110O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[507.441, 999], [671.5974, 999], [715.66, 999], [927.8375, 50], [944.8641, 100]]
[28.0, 2.0, 16.0, 0.0, 13.0, 1.0, 0.0, 0.0]
[[507.441, 100.0], [671.5974, 100.0], [715.66, 100.0], [944.8641, 5.0]]
20
LP_00512278
PC 44:9_18:0
PC 62:9
PC
18:0_44:9
2
62
9
44
9
null
18
0
null
0
0
null
0
0
null
1,180.88901
[M+HCOO]-
Negative
null
CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
GKRLSYALTALPTN-BCGISOEXNA-N
GKRLSYALTALPTN
1,135.890806
C70H122NO8P
null
11.26
5
null
MS-DIAL
null
null
null
null
[[224.0693, 100], [283.2635, 600], [490.3301, 50], [508.3406, 50], [629.5294, 600], [836.5959, 50], [854.6065, 50], [1120.867, 999], [1180.889, 200]]
[44.0, 9.0, 18.0, 0.0, 0.0, 0.0, 0.0, 0.0]
[[224.0693, 5.0], [283.2635, 58.0], [629.5294, 58.0], [1120.867, 100.0], [1180.889, 16.0]]
21
LP_00682827
TG 26:7_18:4_10:0
TG 54:11
TG
10:0_18:4_26:7
3
54
11
26
7
null
18
4
null
10
0
null
0
0
null
891.64731
[M+Na]+
Positive
null
CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC
null
DFBOLLFSSJZEHL-KEXXEKLYNA-N
DFBOLLFSSJZEHL
868.658091
C57H88O6
null
8.24
1
null
MS-DIAL
null
null
null
null
[[509.3609, 200], [615.4391, 200], [719.5016, 200], [891.6473, 999]]
[26.0, 7.0, 18.0, 4.0, 10.0, 0.0, 0.0, 0.0]
[[891.6473, 100.0]]
22
LP_01659814
TG 30:8_26:7_14:1
TG 70:16
TG
14:1_26:7_30:8
3
70
16
30
8
null
26
7
null
14
1
null
0
0
null
1,105.81946
[M+Na]+
Positive
null
CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
VPPKMOHRUSJKEQ-VRSREROLNA-N
VPPKMOHRUSJKEQ
1,082.830241
C73H110O6
null
11.14
1
null
MS-DIAL
null
null
null
null
[[669.4861, 200], [723.533, 200], [879.6268, 200], [1105.819, 999]]
[30.0, 8.0, 26.0, 7.0, 14.0, 1.0, 0.0, 0.0]
[[1105.819, 100.0]]
23
LP_00785759
TG 26:4_24:2_23:0
TG 73:6
TG
23:0_24:2_26:4
3
73
6
26
4
null
24
2
null
23
0
null
0
0
null
1,168.02291
[M+Na]+
Positive
null
CCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCCCC
null
QZNMNIQXWAKMID-NGROLPCONA-N
QZNMNIQXWAKMID
1,145.033692
C76H136O6
null
12.1
1
null
MS-DIAL
null
null
null
null
[[779.6895, 200], [803.6895, 200], [813.6739, 200], [1168.023, 999]]
[26.0, 4.0, 24.0, 2.0, 23.0, 0.0, 0.0, 0.0]
[[1168.023, 100.0]]
24
LP_00558781
PC 42:5_26:5
PC 68:10
PC
26:5_42:5
2
68
10
42
5
null
26
5
null
0
0
null
0
0
null
1,240.95828
[M+Na]+
Positive
null
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C
null
WCHCVBPACIHPQS-DFMMVOTDNA-N
WCHCVBPACIHPQS
1,217.969057
C76H132NO8P
null
12.1
6
null
MS-DIAL
null
null
null
null
[[86.09643, 100], [146.9818, 400], [184.0733, 800], [1035.91, 400], [1057.892, 600], [1181.885, 500], [1240.958, 999]]
[42.0, 5.0, 26.0, 5.0, 0.0, 0.0, 0.0, 0.0]
[[146.9818, 33.0], [184.0733, 78.0], [1035.91, 33.0], [1057.892, 56.0], [1181.885, 44.0], [1240.958, 100.0]]
25
LP_01624006
TG 38:2_17:2_10:0
TG 65:4
TG
10:0_17:2_38:2
3
65
4
38
2
null
17
2
null
10
0
null
0
0
null
1,059.92901
[M+Na]+
Positive
null
CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCC
null
VGLJMPILYCCEIS-FDHWSHJNNA-N
VGLJMPILYCCEIS
1,036.939792
C68H124O6
null
12.1
1
null
MS-DIAL
null
null
null
null
[[499.3767, 200], [793.7051, 200], [887.7833, 200], [1059.929, 999]]
[38.0, 2.0, 17.0, 2.0, 10.0, 0.0, 0.0, 0.0]
[[1059.929, 100.0]]
26
LP_01748536
TG 19:2_16:0_11:0
TG 46:2
TG
11:0_16:0_19:2
3
46
2
19
2
null
16
0
null
11
0
null
0
0
null
792.70757
[M+NH4]+
Positive
null
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC
null
CTWZWJOXIXGKEW-SFFDJHAENA-N
CTWZWJOXIXGKEW
774.673741
C49H90O6
null
9.27
4
null
MS-DIAL
null
null
null
null
[[481.4253, 999], [519.4409, 999], [589.5192, 999], [775.681, 50], [792.7076, 100]]
[19.0, 2.0, 16.0, 0.0, 11.0, 0.0, 0.0, 0.0]
[[481.4253, 100.0], [519.4409, 100.0], [589.5192, 100.0], [792.7076, 5.0]]
27
LP_00691895
TG 32:6_26:4_11:0
TG 69:10
TG
11:0_26:4_32:6
3
69
10
32
6
null
26
4
null
11
0
null
0
0
null
1,103.89771
[M+Na]+
Positive
null
CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC
null
IMINYYVYACWGCU-QMWIEJQLNA-N
IMINYYVYACWGCU
1,080.908492
C72H120O6
null
12.1
1
null
MS-DIAL
null
null
null
null
[[635.5018, 200], [715.5643, 200], [917.7364, 200], [1103.898, 999]]
[32.0, 6.0, 26.0, 4.0, 11.0, 0.0, 0.0, 0.0]
[[1103.898, 100.0]]
28
LP_00895699
TG 26:3_24:6_20:1
TG 70:10
TG
20:1_24:6_26:3
3
70
10
26
3
null
24
6
null
20
1
null
0
0
null
1,112.95797
[M+NH4]+
Positive
null
CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC\C=C/C\C=C/C\C=C/CCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
GVERKEDRKXRZCN-VYSMDQNANA-N
GVERKEDRKXRZCN
1,094.924142
C73H122O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[705.5818, 999], [739.66, 999], [785.6444, 999], [1095.931, 50], [1112.958, 100]]
[26.0, 3.0, 24.0, 6.0, 20.0, 1.0, 0.0, 0.0]
[[705.5818, 100.0], [739.66, 100.0], [785.6444, 100.0], [1112.958, 5.0]]
29
LP_00546060
PC 44:4_28:7
PC 72:11
PC
44:4_28:7
2
72
11
44
4
null
28
7
null
0
0
null
0
0
null
1,273.02328
[M+H]+
Positive
null
CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
DHHXQMPSQZXPMD-KRPGNDTENA-N
DHHXQMPSQZXPMD
1,272.016007
C80H138NO8P
null
12.1
2
null
MS-DIAL
null
null
null
null
[[184.0733, 999], [632.4084, 50], [650.4189, 50], [862.7056, 50], [880.7161, 50], [1273.023, 300]]
[44.0, 4.0, 28.0, 7.0, 0.0, 0.0, 0.0, 0.0]
[[184.0733, 100.0], [1273.023, 26.0]]
30
LP_01812332
TG 28:3_24:0_17:1
TG 69:4
TG
17:1_24:0_28:3
3
69
4
28
3
null
24
0
null
17
1
null
0
0
null
1,111.03622
[M+NH4]+
Positive
null
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC\C=C/C\C=C/C\C=C/CCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCC
null
QEBHDHFOECOJOZ-POSAXQMPNA-N
QEBHDHFOECOJOZ
1,093.002392
C72H132O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[675.6288, 999], [725.6445, 999], [825.7696, 999], [1094.01, 50], [1111.036, 100]]
[28.0, 3.0, 24.0, 0.0, 17.0, 1.0, 0.0, 0.0]
[[675.6288, 100.0], [725.6445, 100.0], [825.7696, 100.0], [1111.036, 5.0]]
31
LP_01634336
TG 26:5_12:0_12:0
TG 50:5
TG
12:0_12:0_26:5
3
50
5
26
5
null
12
0
null
12
0
null
0
0
null
847.67861
[M+Na]+
Positive
null
CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC
null
LNAQWHMGHNOAIP-WJGKFJHVNA-N
LNAQWHMGHNOAIP
824.689391
C53H92O6
null
9.37
2
null
MS-DIAL
null
null
null
null
[[461.3609, 200], [647.5016, 400], [847.6786, 999]]
[26.0, 5.0, 12.0, 0.0, 12.0, 0.0, 0.0, 0.0]
[[647.5016, 25.0], [847.6786, 100.0]]
32
LP_00388676
PE-O 28:3_22:1
PE-O 50:4
PE-O
28:3_22:1
2
50
4
28
3
null
22
1
null
0
0
null
0
0
null
922.76232
[M+H]+
Positive
null
CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCC\C=C/C\C=C/C\C=C/CCCCCCC)COP(O)(=O)OCCN
null
MBRHGMIFEPZWER-VPKGNUDWNA-N
MBRHGMIFEPZWER
921.755041
C55H104NO7P
null
8.99
4
null
MS-DIAL
null
null
null
null
[[395.3522, 999], [430.441, 200], [528.4179, 500], [781.7432, 200], [922.7623, 100]]
[28.0, 3.0, 22.0, 1.0, 0.0, 0.0, 0.0, 0.0]
[[395.3522, 100.0], [430.441, 11.0], [528.4179, 44.0], [781.7432, 11.0]]
33
LP_00714155
TG 22:3_16:1_14:1
TG 52:5
TG
14:1_16:1_22:3
3
52
5
22
3
null
16
1
null
14
1
null
0
0
null
875.70991
[M+Na]+
Positive
null
CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC
null
IYVXJZYHJRTKOU-GKTWFYQCNA-N
IYVXJZYHJRTKOU
852.720691
C55H96O6
null
9.72
1
null
MS-DIAL
null
null
null
null
[[541.4235, 200], [621.486, 200], [649.5173, 200], [875.7099, 999]]
[22.0, 3.0, 16.0, 1.0, 14.0, 1.0, 0.0, 0.0]
[[875.7099, 100.0]]
34
LP_00731719
TG 34:6_17:1_16:1
TG 67:8
TG
16:1_17:1_34:6
3
67
8
34
6
null
17
1
null
16
1
null
0
0
null
1,079.89771
[M+Na]+
Positive
null
CCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/CCCCCC
null
GMPVXETZWFPLAN-RMDJSCFXNA-N
GMPVXETZWFPLAN
1,056.908492
C70H120O6
null
12.1
1
null
MS-DIAL
null
null
null
null
[[583.4705, 200], [811.6582, 200], [825.6738, 200], [1079.898, 999]]
[34.0, 6.0, 17.0, 1.0, 16.0, 1.0, 0.0, 0.0]
[[1079.898, 100.0]]
35
LP_00329259
DG 24:4_16:1
DG 40:5
DG
16:1_24:4
2
40
5
24
4
null
16
1
null
0
0
null
0
0
null
688.58745
[M+NH4]+
Positive
null
CCCCCC\C=C/CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC
null
QQHJLUDBUXXIAS-XNLOIIFBNA-N
QQHJLUDBUXXIAS
670.553625
C43H74O5
null
6.81
3
null
MS-DIAL
null
null
null
null
[[311.2583, 999], [417.3365, 999], [653.5504, 400], [671.5609, 50]]
[24.0, 4.0, 16.0, 1.0, 0.0, 0.0, 0.0, 0.0]
[[311.2583, 100.0], [417.3365, 100.0], [653.5504, 37.0]]
36
LP_00881209
TG 28:6_24:0_18:2
TG 70:8
TG
18:2_24:0_28:6
3
70
8
28
6
null
24
0
null
18
2
null
0
0
null
1,116.98927
[M+NH4]+
Positive
null
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC
null
PUCVBZRFZCIWCC-YWYNCMNCNA-N
PUCVBZRFZCIWCC
1,098.955442
C73H126O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[687.6288, 999], [731.5975, 999], [819.7227, 999], [1099.963, 50], [1116.989, 100]]
[28.0, 6.0, 24.0, 0.0, 18.0, 2.0, 0.0, 0.0]
[[687.6288, 100.0], [731.5975, 100.0], [819.7227, 100.0], [1116.989, 5.0]]
37
LP_01536082
PG 21:0_18:0
PG 39:0
PG
18:0_21:0
2
39
0
21
0
null
18
0
null
0
0
null
0
0
null
819.61206
[M-H]-
Negative
null
CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)CO
null
KRMINZHEXGIGAW-UHFFFAOYNA-N
KRMINZHEXGIGAW
820.619336
C45H89O10P
null
6.88
3
null
MS-DIAL
null
null
null
null
[[283.2635, 999], [325.3105, 999], [493.2932, 100], [511.3038, 100], [535.3401, 100], [553.3507, 100], [819.6121, 500]]
[21.0, 0.0, 18.0, 0.0, 0.0, 0.0, 0.0, 0.0]
[[283.2635, 100.0], [325.3105, 100.0], [819.6121, 44.0]]
38
LP_01325837
PE-O 22:4_13:1
PE-O 35:5
PE-O
13:1_22:4
2
35
5
22
4
null
13
1
null
0
0
null
0
0
null
710.51192
[M+H]+
Positive
null
CCC\C=C/CCCCCCCCOCC(COP(O)(=O)OCCN)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC
null
VKYGMDUJJWKJMA-VEXKFZTGNA-N
VKYGMDUJJWKJMA
709.50464
C40H72NO7P
null
4.2
4
null
MS-DIAL
null
null
null
null
[[224.2377, 200], [322.2146, 500], [389.3051, 999], [569.4929, 200], [710.5119, 100]]
[22.0, 4.0, 13.0, 1.0, 0.0, 0.0, 0.0, 0.0]
[[224.2377, 11.0], [322.2146, 44.0], [389.3051, 100.0], [569.4929, 11.0]]
39
LP_01806991
TG 26:1_17:1_17:0
TG 60:2
TG
17:0_17:1_26:1
3
60
2
26
1
null
17
1
null
17
0
null
0
0
null
988.92667
[M+NH4]+
Positive
null
CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCC
null
YYNQLEVVYVBVIC-IUWOEDPRNA-N
YYNQLEVVYVBVIC
970.892841
C63H118O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[577.5193, 999], [701.6444, 999], [703.66, 999], [971.9001, 50], [988.9267, 100]]
[26.0, 1.0, 17.0, 1.0, 17.0, 0.0, 0.0, 0.0]
[[577.5193, 100.0], [701.6444, 100.0], [703.66, 100.0], [988.9267, 5.0]]
40
LP_01275948
DG 40:10_25:0
DG 65:10
DG
25:0_40:10
2
65
10
40
10
null
25
0
null
0
0
null
0
0
null
1,028.90045
[M+NH4]+
Positive
null
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
VZRHAPXXVCJOAZ-CYUWAWDQNA-N
VZRHAPXXVCJOAZ
1,010.866627
C68H114O5
null
12.1
3
null
MS-DIAL
null
null
null
null
[[439.4149, 999], [629.493, 999], [993.8633, 400], [1011.874, 50]]
[40.0, 10.0, 25.0, 0.0, 0.0, 0.0, 0.0, 0.0]
[[439.4149, 100.0], [629.493, 100.0], [993.8633, 37.0]]
41
LP_01683390
TG 26:6_24:2_16:3
TG 66:11
TG
16:3_24:2_26:6
3
66
11
26
6
null
24
2
null
16
3
null
0
0
null
1,059.83511
[M+Na]+
Positive
null
CCCCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/CC
null
MPMLFTPQQRHKKQ-SYYCPQEHNA-N
MPMLFTPQQRHKKQ
1,036.845891
C69H112O6
null
11.78
1
null
MS-DIAL
null
null
null
null
[[675.533, 200], [695.5018, 200], [809.6425, 200], [1059.835, 999]]
[26.0, 6.0, 24.0, 2.0, 16.0, 3.0, 0.0, 0.0]
[[1059.835, 100.0]]
42
LP_01463191
PC 40:7_36:9
PC 76:16
PC
40:7_36:9
2
76
16
40
7
null
36
9
null
0
0
null
0
0
null
1,362.99856
[M+HCOO]-
Negative
null
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
MGYCXGYRKJOVOQ-WAGSWETHNA-N
MGYCXGYRKJOVOQ
1,318.000357
C84H136NO8P
null
12.1
5
null
MS-DIAL
null
null
null
null
[[224.0693, 100], [517.4043, 600], [577.4982, 600], [724.4709, 50], [742.4815, 50], [784.5648, 50], [802.5753, 50], [1302.977, 999], [1362.999, 200]]
[40.0, 7.0, 36.0, 9.0, 0.0, 0.0, 0.0, 0.0]
[[224.0693, 5.0], [517.4043, 58.0], [577.4982, 58.0], [1302.977, 100.0], [1362.999, 16.0]]
43
LP_01748494
TG 34:7_15:1_11:0
TG 60:8
TG
11:0_15:1_34:7
3
60
8
34
7
null
15
1
null
11
0
null
0
0
null
976.83277
[M+NH4]+
Positive
null
CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCC
null
CXYDMWQROFKMJE-OHSXOBJTNA-N
CXYDMWQROFKMJE
958.798941
C63H106O6
null
11.17
4
null
MS-DIAL
null
null
null
null
[[465.3941, 999], [719.5974, 999], [773.6443, 999], [959.8062, 50], [976.8328, 100]]
[34.0, 7.0, 15.0, 1.0, 11.0, 0.0, 0.0, 0.0]
[[465.3941, 100.0], [719.5974, 100.0], [773.6443, 100.0], [976.8328, 5.0]]
44
LP_00336481
DG 44:1_30:2
DG 74:3
DG
44:1_30:2
2
74
3
44
1
null
30
2
null
0
0
null
0
0
null
1,169.15085
[M+NH4]+
Positive
null
CCCCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCC
null
RNAJXTRSUKQKGE-DTXVDQHXNA-N
RNAJXTRSUKQKGE
1,151.117028
C77H146O5
null
12.1
3
null
MS-DIAL
null
null
null
null
[[505.4619, 999], [703.6965, 999], [1134.114, 400], [1152.124, 50]]
[44.0, 1.0, 30.0, 2.0, 0.0, 0.0, 0.0, 0.0]
[[505.4619, 100.0], [703.6965, 100.0], [1134.114, 37.0]]
45
LP_01817072
TG 32:5_20:4_18:0
TG 70:9
TG
18:0_20:4_32:5
3
70
9
32
5
null
20
4
null
18
0
null
0
0
null
1,114.97362
[M+NH4]+
Positive
null
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC
null
KVUAAMLOGAYZSJ-CUZXNTSTNA-N
KVUAAMLOGAYZSJ
1,096.939792
C73H124O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[627.535, 999], [793.707, 999], [813.6757, 999], [1097.947, 50], [1114.974, 100]]
[32.0, 5.0, 20.0, 4.0, 18.0, 0.0, 0.0, 0.0]
[[627.535, 100.0], [793.707, 100.0], [813.6757, 100.0], [1114.974, 5.0]]
46
LP_00773451
TG 30:2_22:3_19:2
TG 71:7
TG
19:2_22:3_30:2
3
71
7
30
2
null
22
3
null
19
2
null
0
0
null
1,137.97596
[M+Na]+
Positive
null
CCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC
null
HNRFSSWDEAAMEX-AZMDFPRKNA-N
HNRFSSWDEAAMEX
1,114.986742
C74H130O6
null
12.1
1
null
MS-DIAL
null
null
null
null
[[689.5488, 200], [803.6895, 200], [843.7208, 200], [1137.976, 999]]
[30.0, 2.0, 22.0, 3.0, 19.0, 2.0, 0.0, 0.0]
[[1137.976, 100.0]]
47
LP_01526319
PE 24:6_22:6
PE 46:12
PE
22:6_24:6
2
46
12
24
6
null
22
6
null
0
0
null
0
0
null
864.55378
[M+H]+
Positive
null
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN
null
KRONDFFNFVDKBN-UPSZCJSYNA-N
KRONDFFNFVDKBN
863.546505
C51H78NO8P
null
4.8
1
null
MS-DIAL
null
null
null
null
[[311.2373, 50], [339.2686, 50], [723.5347, 999], [864.5538, 50]]
[24.0, 6.0, 22.0, 6.0, 0.0, 0.0, 0.0, 0.0]
[[723.5347, 100.0]]
48
LP_00669991
TG 36:5_19:1_8:0
TG 63:6
TG
8:0_19:1_36:5
3
63
6
36
5
null
19
1
null
8
0
null
0
0
null
1,027.86641
[M+Na]+
Positive
null
CCCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
MULJQAPHGYIGNG-YUHSYFFUNA-N
MULJQAPHGYIGNG
1,004.877191
C66H116O6
null
12.1
1
null
MS-DIAL
null
null
null
null
[[501.3923, 200], [731.5956, 200], [883.752, 200], [1027.866, 999]]
[36.0, 5.0, 19.0, 1.0, 8.0, 0.0, 0.0, 0.0]
[[1027.866, 100.0]]
49
LP_01502146
PC 34:2_30:5
PC 64:7
PC
34:2_30:5
2
64
7
34
2
null
30
5
null
0
0
null
0
0
null
1,190.94263
[M+Na]+
Positive
null
CCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
LNTIQCATVXVLDJ-NGOCKUFDNA-N
LNTIQCATVXVLDJ
1,167.953407
C72H130NO8P
null
12.1
6
null
MS-DIAL
null
null
null
null
[[86.09643, 100], [146.9818, 400], [184.0733, 800], [985.8941, 400], [1007.877, 600], [1131.869, 500], [1190.943, 999]]
[34.0, 2.0, 30.0, 5.0, 0.0, 0.0, 0.0, 0.0]
[[146.9818, 33.0], [184.0733, 78.0], [985.8941, 33.0], [1007.877, 56.0], [1131.869, 44.0], [1190.943, 100.0]]
50
LP_01608408
SQDG 24:2_21:0
SQDG 45:2
SQDG
21:0_24:2
2
45
2
24
2
null
21
0
null
0
0
null
0
0
null
990.72738
[M+NH4]+
Positive
null
CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(O)(=O)=O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCCCC
null
KOIHDYZEJSZZIP-IUFKAHDJNA-N
KOIHDYZEJSZZIP
972.69355
C54H100O12S
null
8.53
8
null
MS-DIAL
null
null
null
null
[[309.3152, 100], [347.3308, 100], [383.352, 999], [421.3676, 999], [609.3667, 100], [647.3823, 100], [729.6755, 200], [747.6861, 100], [990.7274, 50]]
[24.0, 2.0, 21.0, 0.0, 0.0, 0.0, 0.0, 0.0]
[[309.3152, 5.0], [347.3308, 5.0], [383.352, 100.0], [421.3676, 100.0], [609.3667, 5.0], [647.3823, 5.0], [729.6755, 16.0], [747.6861, 5.0]]
51
LP_01294277
DGCC 38:8_36:0
DGCC 74:8
DGCC
36:0_38:8
2
74
8
38
8
null
36
0
null
0
0
null
0
0
null
1,301.1356
[M+H]+
Positive
null
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(OCC[N+](C)(C)C)C([O-])=O)OC(=O)CCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
QIKGKZHAMRPKRJ-KRGUREPGNA-N
QIKGKZHAMRPKRJ
1,300.128321
C84H149NO8
null
12.1
3
null
MS-DIAL
null
null
null
null
[[104.107, 200], [132.1019, 100], [752.6766, 50], [764.5827, 50], [770.6871, 50], [782.5933, 50], [1301.136, 999]]
[38.0, 8.0, 36.0, 0.0, 0.0, 0.0, 0.0, 0.0]
[[104.107, 16.0], [132.1019, 5.0], [1301.136, 100.0]]
52
LP_00901231
TG 26:5_22:4_21:1
TG 69:10
TG
21:1_22:4_26:5
3
69
10
26
5
null
22
4
null
21
1
null
0
0
null
1,098.94232
[M+NH4]+
Positive
null
CCCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC
null
VTXQLALEJMZPBB-WBBCUNQHNA-N
VTXQLALEJMZPBB
1,080.908492
C72H120O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[695.5975, 999], [749.6444, 999], [757.6132, 999], [1081.916, 50], [1098.942, 100]]
[26.0, 5.0, 22.0, 4.0, 21.0, 1.0, 0.0, 0.0]
[[695.5975, 100.0], [749.6444, 100.0], [757.6132, 100.0], [1098.942, 5.0]]
53
LP_00373129
PE-O 9:0_3:0
PE-O 12:0
PE-O
9:0_3:0
2
12
0
9
0
null
3
0
null
0
0
null
0
0
null
398.23022
[M+H]+
Positive
null
CCCCCCCCCOCC(COP(O)(=O)OCCN)OC(=O)CC
null
NQTWIQHDNUUAFA-UHFFFAOYNA-N
NQTWIQHDNUUAFA
397.222939
C17H36NO7P
null
0.12
1
null
MS-DIAL
null
null
null
null
[[57.03349, 10], [257.2111, 999], [398.2302, 10]]
[9.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0]
[[257.2111, 100.0]]
54
LP_01540147
PI 24:2_20:0
PI 44:2
PI
20:0_24:2
2
44
2
24
2
null
20
0
null
0
0
null
0
0
null
973.67505
[M-H]-
Negative
null
CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCCCC
null
CIJYOAFVAPWPHQ-RDTMPOLENA-N
CIJYOAFVAPWPHQ
974.68233
C53H99O13P
null
8.03
5
null
MS-DIAL
null
null
null
null
[[241.0119, 200], [297.0381, 200], [311.2948, 200], [363.3261, 200], [609.3406, 100], [627.3511, 100], [661.3719, 100], [679.3824, 100], [973.675, 999]]
[24.0, 2.0, 20.0, 0.0, 0.0, 0.0, 0.0, 0.0]
[[241.0119, 11.0], [297.0381, 11.0], [311.2948, 11.0], [363.3261, 11.0], [973.675, 100.0]]
55
LP_00871988
TG 36:6_18:5_17:2
TG 71:13
TG
17:2_18:5_36:6
3
71
13
36
6
null
18
5
null
17
2
null
0
0
null
1,120.92667
[M+NH4]+
Positive
null
CCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
FHSYZTPIDQZBML-BYCQJUJUNA-N
FHSYZTPIDQZBML
1,102.892841
C74H118O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[579.4411, 999], [829.707, 999], [837.6757, 999], [1103.9, 50], [1120.927, 100]]
[36.0, 6.0, 18.0, 5.0, 17.0, 2.0, 0.0, 0.0]
[[579.4411, 100.0], [829.707, 100.0], [837.6757, 100.0], [1120.927, 5.0]]
56
LP_00512139
PC 18:4_18:0
PC 36:4
PC
18:0_18:4
2
36
4
18
4
null
18
0
null
0
0
null
0
0
null
826.56036
[M+HCOO]-
Negative
null
CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC
null
MGIFJPVLDQAGPZ-QXTOGSPWNA-N
MGIFJPVLDQAGPZ
781.562155
C44H80NO8P
null
5.15
5
null
MS-DIAL
null
null
null
null
[[224.0693, 100], [275.201, 600], [283.2635, 600], [482.2673, 50], [490.3299, 50], [500.2779, 50], [508.3405, 50], [766.5387, 999], [826.5604, 200]]
[18.0, 4.0, 18.0, 0.0, 0.0, 0.0, 0.0, 0.0]
[[224.0693, 5.0], [275.201, 58.0], [283.2635, 58.0], [766.5387, 100.0], [826.5604, 16.0]]
57
LP_00739009
TG 20:0_17:0_16:3
TG 53:3
TG
16:3_17:0_20:0
3
53
3
20
0
null
17
0
null
16
3
null
0
0
null
893.75686
[M+Na]+
Positive
null
CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCC
null
KUDNMDSBUMKHIB-ALIVEHQZNA-N
KUDNMDSBUMKHIB
870.767641
C56H102O6
null
11.01
1
null
MS-DIAL
null
null
null
null
[[581.4548, 200], [623.5017, 200], [643.5643, 200], [893.7568, 999]]
[20.0, 0.0, 17.0, 0.0, 16.0, 3.0, 0.0, 0.0]
[[893.7568, 100.0]]
58
LP_01529095
PE 30:6_28:6
PE 58:12
PE
28:6_30:6
2
58
12
30
6
null
28
6
null
0
0
null
0
0
null
1,032.74158
[M+H]+
Positive
null
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN
null
FMMSUMXVBDTFTH-WDHWEUMLNA-N
FMMSUMXVBDTFTH
1,031.734306
C63H102NO8P
null
8.4
1
null
MS-DIAL
null
null
null
null
[[395.3312, 50], [423.3625, 50], [891.7225, 999], [1032.742, 50]]
[30.0, 6.0, 28.0, 6.0, 0.0, 0.0, 0.0, 0.0]
[[891.7225, 100.0]]
59
LP_00799539
TG 32:5_32:0_9:0
TG 73:5
TG
9:0_32:0_32:5
3
73
5
32
5
null
32
0
null
9
0
null
0
0
null
1,165.08317
[M+NH4]+
Positive
null
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
JCSBIVYJICNVDI-IOLAYHNKNA-N
JCSBIVYJICNVDI
1,147.049342
C76H138O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[667.5663, 999], [677.6445, 999], [989.926, 999], [1148.057, 50], [1165.083, 100]]
[32.0, 5.0, 32.0, 0.0, 9.0, 0.0, 0.0, 0.0]
[[667.5663, 100.0], [677.6445, 100.0], [989.926, 100.0], [1165.083, 5.0]]
60
LP_01756741
TG 38:1_21:0_12:0
TG 71:1
TG
12:0_21:0_38:1
3
71
1
38
1
null
21
0
null
12
0
null
0
0
null
1,145.11447
[M+NH4]+
Positive
null
CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC\C=C/CCCCCCCCCC
null
CJEJRNWKUVRCSF-OHYPFYFLNA-N
CJEJRNWKUVRCSF
1,127.080642
C74H142O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[565.5194, 999], [801.7697, 999], [927.9104, 999], [1128.088, 50], [1145.115, 100]]
[38.0, 1.0, 21.0, 0.0, 12.0, 0.0, 0.0, 0.0]
[[565.5194, 100.0], [801.7697, 100.0], [927.9104, 100.0], [1145.115, 5.0]]
61
LP_01290978
DGCC 38:9_28:1
DGCC 66:10
DGCC
28:1_38:9
2
66
10
38
9
null
28
1
null
0
0
null
0
0
null
1,184.9791
[M+H]+
Positive
null
CCCCCCCCCC\C=C/CCCCCCCCCCCCCCCC(=O)OCC(COC(OCC[N+](C)(C)C)C([O-])=O)OC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
WXHYJKPLXJXWLC-XFKFKHDBNA-N
WXHYJKPLXJXWLC
1,183.97182
C76H129NO8
null
11.74
3
null
MS-DIAL
null
null
null
null
[[104.107, 200], [132.1019, 100], [638.5357, 50], [656.5463, 50], [762.567, 50], [780.5775, 50], [1184.979, 999]]
[38.0, 9.0, 28.0, 1.0, 0.0, 0.0, 0.0, 0.0]
[[104.107, 16.0], [132.1019, 5.0], [1184.979, 100.0]]
62
LP_00767434
TG 28:6_19:2_18:5
TG 65:13
TG
18:5_19:2_28:6
3
65
13
28
6
null
19
2
null
18
5
null
0
0
null
1,041.78816
[M+Na]+
Positive
null
CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
OPESJAKDBFBIIG-ZPTRYBJXNA-N
OPESJAKDBFBIIG
1,018.798941
C68H106O6
null
10.85
1
null
MS-DIAL
null
null
null
null
[[629.4548, 200], [747.533, 200], [767.5955, 200], [1041.788, 999]]
[28.0, 6.0, 19.0, 2.0, 18.0, 5.0, 0.0, 0.0]
[[1041.788, 100.0]]
63
LP_00385467
PE-O 18:4_18:2
PE-O 36:6
PE-O
18:4_18:2
2
36
6
18
4
null
18
2
null
0
0
null
0
0
null
722.51192
[M+H]+
Positive
null
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN
null
JGRGAUWDDAQIAG-IVCSMOBKNA-N
JGRGAUWDDAQIAG
721.50464
C41H72NO7P
null
4.13
4
null
MS-DIAL
null
null
null
null
[[288.269, 200], [337.2739, 999], [386.2459, 500], [581.4929, 200], [722.5119, 100]]
[18.0, 4.0, 18.0, 2.0, 0.0, 0.0, 0.0, 0.0]
[[288.269, 11.0], [337.2739, 100.0], [386.2459, 44.0], [581.4929, 11.0]]
64
LP_01711956
TG 26:7_22:3_19:0
TG 67:10
TG
19:0_22:3_26:7
3
67
10
26
7
null
22
3
null
19
0
null
0
0
null
1,075.86641
[M+Na]+
Positive
null
CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC
null
KEXSHWFFWHLMBB-LNKZXBFONA-N
KEXSHWFFWHLMBB
1,052.877191
C70H116O6
null
12.1
1
null
MS-DIAL
null
null
null
null
[[693.58, 200], [741.58, 200], [777.58, 200], [1075.866, 999]]
[26.0, 7.0, 22.0, 3.0, 19.0, 0.0, 0.0, 0.0]
[[1075.866, 100.0]]
65
LP_00510150
PC 17:2_13:1
PC 30:3
PC
13:1_17:2
2
30
3
17
2
null
13
1
null
0
0
null
0
0
null
744.48211
[M+HCOO]-
Negative
null
CCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCC)COP([O-])(=O)OCC[N+](C)(C)C
null
DFNCWAXRXSQPKY-NXBLTDFXNA-N
DFNCWAXRXSQPKY
699.483905
C38H70NO8P
null
3.62
5
null
MS-DIAL
null
null
null
null
[[211.1697, 600], [224.0693, 100], [265.2166, 600], [418.236, 50], [436.2466, 50], [472.2829, 50], [490.2935, 50], [684.4604, 999], [744.4821, 200]]
[17.0, 2.0, 13.0, 1.0, 0.0, 0.0, 0.0, 0.0]
[[211.1697, 58.0], [224.0693, 5.0], [265.2166, 58.0], [684.4604, 100.0], [744.4821, 16.0]]
66
LP_01500818
PC 38:2_28:0
PC 66:2
PC
28:0_38:2
2
66
2
38
2
null
28
0
null
0
0
null
0
0
null
1,229.05218
[M+Na]+
Positive
null
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCC
null
QZFMBNDBFLQFDY-UJTOJERFNA-N
QZFMBNDBFLQFDY
1,206.062957
C74H144NO8P
null
12.1
6
null
MS-DIAL
null
null
null
null
[[86.09643, 100], [146.9818, 400], [184.0733, 800], [1024.004, 400], [1045.986, 600], [1169.979, 500], [1229.052, 999]]
[38.0, 2.0, 28.0, 0.0, 0.0, 0.0, 0.0, 0.0]
[[146.9818, 33.0], [184.0733, 78.0], [1024.004, 33.0], [1045.986, 56.0], [1169.979, 44.0], [1229.052, 100.0]]
67
LP_01751051
TG 36:3_21:1_11:0
TG 68:4
TG
11:0_21:1_36:3
3
68
4
36
3
null
21
1
null
11
0
null
0
0
null
1,097.02057
[M+NH4]+
Positive
null
CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCC\C=C/C\C=C/C\C=C/CCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCCC
null
ZMMQRONGNLFGIP-GMGOVFFMNA-N
ZMMQRONGNLFGIP
1,078.986742
C71H130O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[549.488, 999], [755.6914, 999], [893.8322, 999], [1079.994, 50], [1097.021, 100]]
[36.0, 3.0, 21.0, 1.0, 11.0, 0.0, 0.0, 0.0]
[[549.488, 100.0], [755.6914, 100.0], [893.8322, 100.0], [1097.021, 5.0]]
68
LP_00816926
TG 28:7_26:6_12:0
TG 66:13
TG
12:0_26:6_28:7
3
66
13
28
7
null
26
6
null
12
0
null
0
0
null
1,050.84842
[M+NH4]+
Positive
null
CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
BEGMWKBFOQIXPE-OMARWGCINA-N
BEGMWKBFOQIXPE
1,032.814591
C69H108O6
null
11.16
4
null
MS-DIAL
null
null
null
null
[[623.5036, 999], [649.5192, 999], [833.6443, 999], [1033.822, 50], [1050.848, 100]]
[28.0, 7.0, 26.0, 6.0, 12.0, 0.0, 0.0, 0.0]
[[623.5036, 100.0], [649.5192, 100.0], [833.6443, 100.0], [1050.848, 5.0]]
69
LP_00847261
TG 22:6_18:1_16:0
TG 56:7
TG
16:0_18:1_22:6
3
56
7
22
6
null
18
1
null
16
0
null
0
0
null
922.78582
[M+NH4]+
Positive
null
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC
null
YGOKCUTVSFRDFI-HTDOMISSNA-N
YGOKCUTVSFRDFI
904.751991
C59H100O6
null
10.32
4
null
MS-DIAL
null
null
null
null
[[577.5192, 999], [623.5035, 999], [649.5192, 999], [905.7593, 50], [922.7858, 100]]
[22.0, 6.0, 18.0, 1.0, 16.0, 0.0, 0.0, 0.0]
[[577.5192, 100.0], [623.5035, 100.0], [649.5192, 100.0], [922.7858, 5.0]]
70
LP_01288216
DGCC 36:6_22:2
DGCC 58:8
DGCC
22:2_36:6
2
58
8
36
6
null
22
2
null
0
0
null
0
0
null
1,076.8852
[M+H]+
Positive
null
CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(OCC[N+](C)(C)C)C([O-])=O)OC(=O)CCCCCCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
ZAQOQPBUHPASRZ-XXTPCVLLNA-N
ZAQOQPBUHPASRZ
1,075.87792
C68H117NO8
null
9.98
3
null
MS-DIAL
null
null
null
null
[[104.107, 200], [132.1019, 100], [552.4261, 50], [570.4367, 50], [740.5825, 50], [758.5931, 50], [1076.885, 999]]
[36.0, 6.0, 22.0, 2.0, 0.0, 0.0, 0.0, 0.0]
[[104.107, 16.0], [132.1019, 5.0], [1076.885, 100.0]]
71
LP_00327551
DG 22:5_8:0
DG 30:5
DG
8:0_22:5
2
30
5
22
5
null
8
0
null
0
0
null
0
0
null
548.43095
[M+NH4]+
Positive
null
CCCCCCCC(=O)OCC(CO)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
DJXJTJKDICBWFD-GJCLIZKUNA-N
DJXJTJKDICBWFD
530.397125
C33H54O5
null
4.14
3
null
MS-DIAL
null
null
null
null
[[201.1487, 999], [387.2894, 999], [513.3939, 400], [531.4044, 50]]
[22.0, 5.0, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0]
[[201.1487, 100.0], [387.2894, 100.0], [513.3939, 37.0]]
72
LP_00835631
TG 34:9_21:0_14:1
TG 69:10
TG
14:1_21:0_34:9
3
69
10
34
9
null
21
0
null
14
1
null
0
0
null
1,098.94232
[M+NH4]+
Positive
null
CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
GSHWYZJTKBKODG-HZJPMVNLNA-N
GSHWYZJTKBKODG
1,080.908492
C72H120O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[591.5349, 999], [755.5975, 999], [855.7226, 999], [1081.916, 50], [1098.942, 100]]
[34.0, 9.0, 21.0, 0.0, 14.0, 1.0, 0.0, 0.0]
[[591.5349, 100.0], [755.5975, 100.0], [855.7226, 100.0], [1098.942, 5.0]]
73
LP_01520117
PE 22:0_8:0
PE 30:0
PE
8:0_22:0
2
30
0
22
0
null
8
0
null
0
0
null
0
0
null
664.49118
[M+H]+
Positive
null
CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COP(O)(=O)OCCN
null
RNIAXIVCYJOHLR-UHFFFAOYNA-N
RNIAXIVCYJOHLR
663.483905
C35H70NO8P
null
4.71
1
null
MS-DIAL
null
null
null
null
[[127.1122, 50], [323.3312, 50], [523.4721, 999], [664.4911, 50]]
[22.0, 0.0, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0]
[[523.4721, 100.0]]
74
LP_00680682
TG 18:5_12:0_10:0
TG 40:5
TG
10:0_12:0_18:5
3
40
5
18
5
null
12
0
null
10
0
null
0
0
null
707.52211
[M+Na]+
Positive
null
CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC)COC(=O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
XVXXFESRDDVBRF-OVTLQWMONA-N
XVXXFESRDDVBRF
684.53289
C43H72O6
null
6.55
1
null
MS-DIAL
null
null
null
null
[[433.3295, 200], [507.3452, 200], [535.3764, 200], [707.5221, 999]]
[18.0, 5.0, 12.0, 0.0, 10.0, 0.0, 0.0, 0.0]
[[707.5221, 100.0]]
75
LP_00332686
DG 44:1_22:1
DG 66:2
DG
22:1_44:1
2
66
2
44
1
null
22
1
null
0
0
null
0
0
null
1,059.0413
[M+NH4]+
Positive
null
CCCCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC
null
XOVYIWJLNXCZSJ-QUOYTPRUNA-N
XOVYIWJLNXCZSJ
1,041.007477
C69H132O5
null
12.1
3
null
MS-DIAL
null
null
null
null
[[395.3524, 999], [703.6965, 999], [1024.004, 400], [1042.015, 50]]
[44.0, 1.0, 22.0, 1.0, 0.0, 0.0, 0.0, 0.0]
[[395.3524, 100.0], [703.6965, 100.0], [1024.004, 37.0]]
76
LP_01303156
DGTS 20:0_18:4
DGTS 38:4
DGTS
20:0_18:4
2
38
4
20
0
null
18
4
null
0
0
null
0
0
null
788.63988
[M+H]+
Positive
null
CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCC(C([O-])=O)[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC
null
ZHEZHTZDOYGOMH-RQYUUTRONA-N
ZHEZHTZDOYGOMH
787.632604
C48H85NO7
null
6.03
6
null
MS-DIAL
null
null
null
null
[[144.1019, 50], [236.1492, 400], [476.337, 300], [494.3476, 300], [512.431, 300], [530.4415, 300], [788.6399, 999]]
[20.0, 0.0, 18.0, 4.0, 0.0, 0.0, 0.0, 0.0]
[[236.1492, 37.0], [476.337, 26.0], [494.3476, 26.0], [512.431, 26.0], [530.4415, 26.0], [788.6399, 100.0]]
77
LP_00824772
TG 20:2_18:5_13:1
TG 51:8
TG
13:1_18:5_20:2
3
51
8
20
2
null
18
5
null
13
1
null
0
0
null
850.69192
[M+NH4]+
Positive
null
CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCC)OC(=O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
HMGRTRPIXFJUQB-GQSIDHFDNA-N
HMGRTRPIXFJUQB
832.658091
C54H88O6
null
8.44
4
null
MS-DIAL
null
null
null
null
[[525.394, 999], [559.4722, 999], [621.4879, 999], [833.6653, 50], [850.6919, 100]]
[20.0, 2.0, 18.0, 5.0, 13.0, 1.0, 0.0, 0.0]
[[525.394, 100.0], [559.4722, 100.0], [621.4879, 100.0], [850.6919, 5.0]]
78
LP_00719143
TG 34:9_16:3_15:0
TG 65:12
TG
15:0_16:3_34:9
3
65
12
34
9
null
16
3
null
15
0
null
0
0
null
1,043.80381
[M+Na]+
Positive
null
CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/CC
null
IMZPSTLJVWOHJN-YZGULIGZNA-N
IMZPSTLJVWOHJN
1,020.814591
C68H108O6
null
11.22
1
null
MS-DIAL
null
null
null
null
[[553.4235, 200], [793.6112, 200], [801.5799, 200], [1043.804, 999]]
[34.0, 9.0, 16.0, 3.0, 15.0, 0.0, 0.0, 0.0]
[[1043.804, 100.0]]
79
LP_00795388
TG 20:5_18:2_9:0
TG 47:7
TG
9:0_18:2_20:5
3
47
7
20
5
null
18
2
null
9
0
null
0
0
null
796.64497
[M+NH4]+
Positive
null
CCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
null
XYKZSZXDDVTGBK-HPMVSHBQNA-N
XYKZSZXDDVTGBK
778.61114
C50H82O6
null
7.62
4
null
MS-DIAL
null
null
null
null
[[477.394, 999], [499.3783, 999], [621.4878, 999], [779.6184, 50], [796.645, 100]]
[20.0, 5.0, 18.0, 2.0, 9.0, 0.0, 0.0, 0.0]
[[477.394, 100.0], [499.3783, 100.0], [621.4878, 100.0], [796.645, 5.0]]
80
LP_00761655
TG 22:6_22:2_18:2
TG 62:10
TG
18:2_22:2_22:6
3
62
10
22
6
null
22
2
null
18
2
null
0
0
null
1,005.78816
[M+Na]+
Positive
null
CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
OXHHTPCOKZQLRM-SIFURZTKNA-N
OXHHTPCOKZQLRM
982.798941
C65H106O6
null
10.92
1
null
MS-DIAL
null
null
null
null
[[669.4861, 200], [677.5486, 200], [725.5486, 200], [1005.788, 999]]
[22.0, 6.0, 22.0, 2.0, 18.0, 2.0, 0.0, 0.0]
[[1005.788, 100.0]]
81
LP_01293358
DGCC 34:8_32:9
DGCC 66:17
DGCC
34:8_32:9
2
66
17
34
8
null
32
9
null
0
0
null
0
0
null
1,170.86955
[M+H]+
Positive
null
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)OCC(COC(OCC[N+](C)(C)C)C([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
XBIYCWVFMSOUQY-LEKMIGIMNA-N
XBIYCWVFMSOUQY
1,169.86227
C76H115NO8
null
9.11
3
null
MS-DIAL
null
null
null
null
[[104.107, 200], [132.1019, 100], [678.4731, 50], [696.4836, 50], [708.52, 50], [726.5306, 50], [1170.87, 999]]
[34.0, 8.0, 32.0, 9.0, 0.0, 0.0, 0.0, 0.0]
[[104.107, 16.0], [132.1019, 5.0], [1170.87, 100.0]]
82
LP_01518188
PE 44:12_36:1
PE 80:13
PE
36:1_44:12
2
80
13
44
12
null
36
1
null
0
0
null
0
0
null
1,337.05568
[M-H]-
Negative
null
CCCCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
UAARHGUKLRHXEZ-RMMVINCKNA-N
UAARHGUKLRHXEZ
1,338.062957
C85H144NO8P
null
12.1
4
null
MS-DIAL
null
null
null
null
[[196.038, 100], [533.5294, 999], [623.4825, 999], [712.5648, 50], [730.5754, 50], [802.5179, 50], [820.5284, 50], [1337.056, 700]]
[44.0, 12.0, 36.0, 1.0, 0.0, 0.0, 0.0, 0.0]
[[196.038, 5.0], [533.5294, 100.0], [623.4825, 100.0], [1337.056, 68.0]]
83
LP_01656043
TG 28:1_16:3_14:1
TG 58:5
TG
14:1_16:3_28:1
3
58
5
28
1
null
16
3
null
14
1
null
0
0
null
959.80381
[M+Na]+
Positive
null
CCCCCCCCCC\C=C/CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/CC
null
NSMZFKZCSWCQRJ-WMPHVNQDNA-N
NSMZFKZCSWCQRJ
936.814591
C61H108O6
null
11.55
1
null
MS-DIAL
null
null
null
null
[[537.3922, 200], [709.6112, 200], [733.6112, 200], [959.8038, 999]]
[28.0, 1.0, 16.0, 3.0, 14.0, 1.0, 0.0, 0.0]
[[959.8038, 100.0]]
84
LP_01454936
PC 22:1_19:2
PC 41:3
PC
22:1_19:2
2
41
3
22
1
null
19
2
null
0
0
null
0
0
null
898.65426
[M+HCOO]-
Negative
null
CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC
null
WKLRIRXPRQTNLW-WLTVMYFTNA-N
WKLRIRXPRQTNLW
853.656056
C49H92NO8P
null
6.88
5
null
MS-DIAL
null
null
null
null
[[224.0693, 100], [293.2479, 600], [337.3105, 600], [500.3143, 50], [518.3249, 50], [544.3768, 50], [562.3874, 50], [838.6326, 999], [898.6542, 200]]
[22.0, 1.0, 19.0, 2.0, 0.0, 0.0, 0.0, 0.0]
[[224.0693, 5.0], [293.2479, 58.0], [337.3105, 58.0], [838.6326, 100.0], [898.6542, 16.0]]
85
LP_01323627
PE-O 24:2_21:1
PE-O 45:3
PE-O
24:2_21:1
2
45
3
24
2
null
21
1
null
0
0
null
0
0
null
852.68517
[M-H]-
Negative
null
CCCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COCCCCCCCCCCCC\C=C/C\C=C/CCCCCCC)COP(O)(=O)OCCN
null
ZLFNOWXMFJWXID-RWLIYIGXNA-N
ZLFNOWXMFJWXID
853.692441
C50H96NO7P
null
7.85
2
null
MS-DIAL
null
null
null
null
[[323.2948, 999], [546.3925, 250], [852.6852, 500]]
[24.0, 2.0, 21.0, 1.0, 0.0, 0.0, 0.0, 0.0]
[[323.2948, 100.0], [852.6852, 33.0]]
86
LP_01269136
DG 32:5_8:0
DG 40:5
DG
8:0_32:5
2
40
5
32
5
null
8
0
null
0
0
null
0
0
null
693.54285
[M+Na]+
Positive
null
CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
SWAUCSBNGLZTAO-GJCLIZKUNA-N
SWAUCSBNGLZTAO
670.553625
C43H74O5
null
6.93
1
null
MS-DIAL
null
null
null
null
[[693.5428, 999]]
[32.0, 5.0, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0]
[[693.5428, 100.0]]
87
LP_00932659
PC 16:0_15:0
PC 31:0
PC
15:0_16:0
2
31
0
16
0
null
15
0
null
0
0
null
0
0
null
720.554
[M+H]+
Positive
null
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
null
null
LLHISNQVRRYJGL
719.546505
C39H78NO8P
null
null
1
null
MassSpecGym
null
null
null
null
[[166.044708, 0.002796948120643561], [173.173737, 4.5962229005189315e-05], [184.03891, 1.0], [185.663971, 0.0002511514195919248], [220.205109, 6.493309832158854e-05], [227.138977, 4.2023568462749726e-05], [240.119507, 6.415028129314798e-05], [241.227463, 0.00026289650391026067], [242.935852, 2.0929448844423386e-05], [253.204086, 6.115257569060388e-05], [264.483337, 5.0379739136963284e-05], [280.513092, 0.0001135900105755285], [283.326538, 0.0005840700707570975], [297.692566, 0.00012447375304972487], [299.367554, 6.876806677648244e-05], [311.254364, 0.00017474477555466832], [342.243225, 7.628627453515158e-05], [346.255402, 0.00011230234297428413], [347.667175, 3.719285557666463e-05], [350.559631, 4.189893175726303e-05], [358.581177, 5.45941259328168e-05], [371.218689, 0.00020599981285242437], [382.480927, 0.00013804652098921714], [386.34137, 7.800285494521558e-05], [393.669312, 0.00015673542076134856], [408.327942, 0.00019991379755942459], [414.317322, 3.788731190152179e-05], [422.552063, 0.00026451319484876795], [447.423584, 8.151680942221419e-05], [449.844727, 6.762780066297178e-05], [464.38562, 0.0072924215346996165], [465.563354, 3.816466421081051e-05], [466.245728, 0.00016332384595228733], [468.516052, 0.00022957534146725886], [471.757629, 9.114211193354173e-05], [477.511902, 8.496457292416099e-05], [478.360718, 0.0034475101936261437], [479.005981, 6.646421926297466e-05], [481.345154, 0.000103972720605674], [482.398376, 0.005458372808511336], [483.567871, 0.000677929121584768], [484.637207, 4.041244302663969e-05], [495.708679, 0.00039812981776977165], [496.427246, 0.01113082533652008], [497.584656, 0.00027764993797380435], [505.154785, 4.0042831934615694e-05], [507.284241, 4.078569444727574e-05], [509.589294, 8.428927923820396e-05], [510.505188, 0.0002905812730112214], [529.742554, 0.00018160863106321602], [537.69104, 0.0021915554741908875], [539.471069, 0.00038232584660163573], [545.747925, 4.09334045992362e-05], [549.542419, 2.894051063842482e-05], [551.617004, 3.5402415317462256e-05], [557.79541, 5.23661684517118e-05], [558.68103, 0.0002619176819157468], [561.74469, 4.70211414112737e-05], [565.582153, 0.00015283002594907537], [573.72998, 4.819046014736131e-05], [579.61731, 2.9257091943455973e-05], [587.630005, 8.340435162861647e-05], [588.813782, 0.00012232482633908217], [590.340515, 0.00012311694147958954], [597.76239, 0.00017985568237019123], [599.765381, 5.29128923498705e-05], [600.74176, 0.00029169359705695025], [601.403625, 0.00016021409841754893], [603.770752, 8.773684863171953e-05], [605.644409, 9.35301134072543e-05], [613.117371, 0.00010194786418575142], [614.407166, 0.00020849656277921108], [619.644653, 0.00010906339241276681], [620.408386, 6.119340210327225e-05], [621.615051, 0.0015698535700488304], [622.718445, 0.004966586805499274], [623.528625, 0.0001640379581423863], [631.762146, 0.00015259711810632905], [634.687012, 7.220107485554981e-05], [636.563843, 5.367554119409501e-05], [642.858215, 9.682020358513897e-05], [660.630127, 0.00021069758691995562], [662.355408, 8.762621637223077e-05], [664.404846, 5.638775466166015e-05], [675.438599, 0.0002801870401795503], [677.747559, 0.0003879347815559203], [684.848877, 0.00014327862465425678], [702.479919, 0.0004373555200330939], [703.690186, 0.0003334149323280532], [719.740234, 0.0010881160386566147], [720.55658, 0.0003874312165537102], [721.609436, 0.0013720508735128006]]
[16.0, 0.0, 15.0, 0.0, 0.0, 0.0, 0.0, 0.0]
[[184.03891, 100.0]]
88
LP_01810630
TG 32:3_18:4_17:1
TG 67:8
TG
17:1_18:4_32:3
3
67
8
32
3
null
18
4
null
17
1
null
0
0
null
1,074.94232
[M+NH4]+
Positive
null
CCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC\C=C/C\C=C/C\C=C/CCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC
null
VEHAFXKWZYZVGU-VDUKXEMUNA-N
VEHAFXKWZYZVGU
1,056.908492
C70H120O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[583.4724, 999], [781.707, 999], [789.6757, 999], [1057.916, 50], [1074.942, 100]]
[32.0, 3.0, 18.0, 4.0, 17.0, 1.0, 0.0, 0.0]
[[583.4724, 100.0], [781.707, 100.0], [789.6757, 100.0], [1074.942, 5.0]]
89
LP_01651152
TG 36:1_16:2_14:0
TG 66:3
TG
14:0_16:2_36:1
3
66
3
36
1
null
16
2
null
14
0
null
0
0
null
1,075.96031
[M+Na]+
Positive
null
CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC\C=C/CCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCC
null
GJPUWBWRBFWFDB-WMLYDFCYNA-N
GJPUWBWRBFWFDB
1,052.971092
C69H128O6
null
12.1
1
null
MS-DIAL
null
null
null
null
[[541.4236, 200], [823.7521, 200], [847.7521, 200], [1075.96, 999]]
[36.0, 1.0, 16.0, 2.0, 14.0, 0.0, 0.0, 0.0]
[[1075.96, 100.0]]
90
LP_00823369
TG 17:2_16:0_13:1
TG 46:3
TG
13:1_16:0_17:2
3
46
3
17
2
null
16
0
null
13
1
null
0
0
null
790.69192
[M+NH4]+
Positive
null
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCC
null
OGZXSUPKGPXWAL-ZBIIOCOSNA-N
OGZXSUPKGPXWAL
772.658091
C49H88O6
null
8.78
4
null
MS-DIAL
null
null
null
null
[[507.4409, 999], [517.4253, 999], [561.4879, 999], [773.6653, 50], [790.6919, 100]]
[17.0, 2.0, 16.0, 0.0, 13.0, 1.0, 0.0, 0.0]
[[507.4409, 100.0], [517.4253, 100.0], [561.4879, 100.0], [790.6919, 5.0]]
91
LP_01452779
PC 28:7_16:1
PC 44:8
PC
16:1_28:7
2
44
8
28
7
null
16
1
null
0
0
null
0
0
null
930.62296
[M+HCOO]-
Negative
null
CCCCCC\C=C/CCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
FYPQCFZBLUCCGU-GXRYSNHANA-N
FYPQCFZBLUCCGU
885.624755
C52H88NO8P
null
5.96
5
null
MS-DIAL
null
null
null
null
[[224.0693, 100], [253.2166, 600], [409.3105, 600], [460.283, 50], [478.2935, 50], [616.3768, 50], [634.3874, 50], [870.6013, 999], [930.623, 200]]
[28.0, 7.0, 16.0, 1.0, 0.0, 0.0, 0.0, 0.0]
[[224.0693, 5.0], [253.2166, 58.0], [409.3105, 58.0], [870.6013, 100.0], [930.623, 16.0]]
92
LP_01839428
TG 32:8_22:6_20:3
TG 74:17
TG
20:3_22:6_32:8
3
74
17
32
8
null
22
6
null
20
3
null
0
0
null
1,154.91102
[M+NH4]+
Positive
null
CC\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
null
SZAGIJDMPNOQEL-STYZCJFUNA-N
SZAGIJDMPNOQEL
1,136.877191
C77H116O6
null
12.01
4
null
MS-DIAL
null
null
null
null
[[673.5193, 999], [809.6444, 999], [831.6287, 999], [1137.885, 50], [1154.911, 100]]
[32.0, 8.0, 22.0, 6.0, 20.0, 3.0, 0.0, 0.0]
[[673.5193, 100.0], [809.6444, 100.0], [831.6287, 100.0], [1154.911, 5.0]]
93
LP_00932988
PC 18:2_16:1
PC 34:3
PC
16:1_18:2
2
34
3
18
2
null
16
1
null
0
0
null
0
0
null
756.554
[M+H]+
Positive
null
CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
null
null
QJWDAOSZZYVBJZ
755.546505
C42H78NO8P
null
null
1
null
MassSpecGym
null
null
null
null
[[165.9888, 0.0024430985073547913], [184.011398, 1.0], [185.455551, 0.00017987091452612418], [186.067902, 0.00021781851832801123], [220.169403, 0.000301967500177249], [254.12912, 8.422981295942827e-05], [255.240204, 8.855360264988432e-05], [261.120728, 5.7892661705547913e-05], [292.261658, 0.00012520538781388716], [304.17627, 0.00012508282881081901], [339.524597, 0.00033114561805687817], [390.348816, 0.00020572648971422825], [398.509827, 0.00016028379119185945], [422.179138, 0.00018427133881160213], [444.898621, 0.0001290136882576816], [445.536072, 0.00011933495243934029], [447.531494, 0.00015170249599046518], [450.377319, 0.0007660804279555752], [451.653259, 0.00010347102778013338], [452.671814, 9.249249923887189e-05], [473.530457, 0.0002235115582574638], [474.596924, 0.0011429488582151558], [476.510681, 0.003191823750070089], [478.40033, 0.0013456768414550453], [487.513184, 0.00020755301181984458], [492.606628, 0.001069489260563462], [494.445374, 0.006070780018915829], [496.414185, 0.003666817663362189], [498.400391, 7.761267962970943e-05], [499.264771, 0.0001590771077224498], [500.394836, 0.0008354245639790156], [502.479187, 0.003792446884379427], [503.455566, 0.00020423745343448345], [504.425293, 0.0008935865440891277], [518.40155, 0.0005389445486313364], [520.494568, 0.003983267886047189], [522.490662, 0.0016590773097631536], [528.530823, 0.0003779229418609339], [538.760742, 0.000479958553851957], [541.122009, 0.0008954973672150033], [545.523926, 8.698753140087888e-05], [546.522278, 0.0011668581104282197], [549.642578, 0.0002826695656727283], [553.395386, 0.0002690034434964905], [571.629272, 0.00013174143794593188], [572.727112, 0.0006780389632716878], [573.734802, 0.003115441005272984], [576.799561, 0.0005091035889565293], [577.466858, 0.0002326799800368956], [581.683533, 9.481913325464868e-05], [587.773071, 9.142011908353225e-05], [589.777039, 0.00021270183935817786], [593.52771, 0.00029246731644069155], [594.555359, 0.00012229094510099952], [595.707031, 6.447958902325831e-05], [597.57019, 0.00015520465842841063], [602.709351, 0.0002557989528174715], [604.86145, 0.00017907778798793871], [609.622498, 0.00022568112694226688], [615.681702, 0.00190830410462372], [616.471863, 0.0006560670181989555], [627.690186, 0.0007211883626408203], [631.732544, 0.0002138712287086865], [648.773376, 0.0001277306074520582], [669.496277, 0.00034572076769906685], [671.140198, 0.0003147119163699773], [678.040344, 0.00011165098487892156], [680.669312, 0.00043430969225400967], [681.779907, 0.0001238618060121938], [685.59021, 7.470631854497329e-05], [693.873535, 0.0004500445629502762], [695.593689, 0.0008486062926411309], [696.726929, 0.0044375539988535575], [697.618896, 0.016318450551696236], [698.690308, 0.0011631241164773926], [710.867493, 0.000496216684020851], [713.611145, 0.0006658976589691939], [714.95166, 0.00014377389977020187], [721.776123, 9.19266666388629e-05], [723.694397, 0.0007012621668124047], [724.806274, 0.0001094414084275997], [737.725159, 0.0006027306449871431], [738.757568, 0.00251714368940227], [739.656372, 0.0016286247413670463], [740.845032, 0.0007674960178055321], [741.539429, 0.00023309967603977978], [743.658813, 0.00027532879297825145], [747.280701, 0.0004026870672169959], [748.535156, 0.0006116149790012053], [755.787292, 0.00346223778615289], [756.748596, 0.0015649144640291087], [757.86084, 0.0007092263815112366]]
[18.0, 2.0, 16.0, 1.0, 0.0, 0.0, 0.0, 0.0]
[[184.011398, 100.0]]
94
LP_00670091
TG 36:7_19:2_8:0
TG 63:9
TG
8:0_19:2_36:7
3
63
9
36
7
null
19
2
null
8
0
null
0
0
null
1,021.81946
[M+Na]+
Positive
null
CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC
null
NHTISDXBQDBQOT-LKGKAHDVNA-N
NHTISDXBQDBQOT
998.830241
C66H110O6
null
11.72
1
null
MS-DIAL
null
null
null
null
[[499.3766, 200], [727.5643, 200], [877.7051, 200], [1021.819, 999]]
[36.0, 7.0, 19.0, 2.0, 8.0, 0.0, 0.0, 0.0]
[[1021.819, 100.0]]
95
LP_01729861
TG 32:0_17:1_8:0
TG 57:1
TG
8:0_17:1_32:0
3
57
1
32
0
null
17
1
null
8
0
null
0
0
null
948.89537
[M+NH4]+
Positive
null
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCC
null
KPASJDRUBIAKSY-XDOYNYLZNA-N
KPASJDRUBIAKSY
930.861541
C60H114O6
null
12.1
4
null
MS-DIAL
null
null
null
null
[[451.3785, 999], [663.6287, 999], [787.7538, 999], [931.8688, 50], [948.8954, 100]]
[32.0, 0.0, 17.0, 1.0, 8.0, 0.0, 0.0, 0.0]
[[451.3785, 100.0], [663.6287, 100.0], [787.7538, 100.0], [948.8954, 5.0]]
96
LP_00355797
DGDG 20:1_17:2
DGDG 37:3
DGDG
20:1_17:2
2
37
3
20
1
null
17
2
null
0
0
null
0
0
null
1,001.64183
[M+HCOO]-
Negative
null
CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCC
null
IUYDFCVDEPLNDC-HZWFLXIQNA-N
IUYDFCVDEPLNDC
956.643622
C52H92O15
null
4.79
10
null
MS-DIAL
null
null
null
null
[[265.2166, 600], [309.2792, 600], [379.1246, 500], [397.1352, 999], [415.1457, 200], [645.3494, 300], [663.3599, 300], [689.4119, 300], [707.4225, 300], [955.6364, 500], [1001.642, 100]]
[20.0, 1.0, 17.0, 2.0, 0.0, 0.0, 0.0, 0.0]
[[265.2166, 56.0], [309.2792, 56.0], [379.1246, 44.0], [397.1352, 100.0], [415.1457, 11.0], [645.3494, 22.0], [663.3599, 22.0], [689.4119, 22.0], [707.4225, 22.0], [955.6364, 44.0]]
97
LP_01330207
PE-O 28:2_11:0
PE-O 39:2
PE-O
28:2_11:0
2
39
2
28
2
null
11
0
null
0
0
null
0
0
null
772.62147
[M+H]+
Positive
null
CCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCC)COP(O)(=O)OCCN
null
GCCZIQVLEXZNIJ-NFYLBXPENA-N
GCCZIQVLEXZNIJ
771.614191
C44H86NO7P
null
6.55
4
null
MS-DIAL
null
null
null
null
[[243.1957, 999], [432.4567, 200], [530.4335, 500], [631.6024, 200], [772.6215, 100]]
[28.0, 2.0, 11.0, 0.0, 0.0, 0.0, 0.0, 0.0]
[[243.1957, 100.0], [432.4567, 11.0], [530.4335, 44.0], [631.6024, 11.0]]
98
LP_01628693
TG 28:3_13:0_11:0
TG 52:3
TG
11:0_13:0_28:3
3
52
3
28
3
null
13
0
null
11
0
null
0
0
null
879.74121
[M+Na]+
Positive
null
CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COC(=O)CCCCCCCCCCCC\C=C/C\C=C/C\C=C/CCCCCCC
null
VZNWXOXJPQYHCF-KPPCTYPMNA-N
VZNWXOXJPQYHCF
856.751991
C55H100O6
null
10.71
1
null
MS-DIAL
null
null
null
null
[[461.3609, 200], [665.5486, 200], [693.5799, 200], [879.7412, 999]]
[28.0, 3.0, 13.0, 0.0, 11.0, 0.0, 0.0, 0.0]
[[879.7412, 100.0]]
99
LP_00757771
TG 31:0_18:2_18:1
TG 67:3
TG
18:1_18:2_31:0
3
67
3
31
0
null
18
2
null
18
1
null
0
0
null
1,089.97596
[M+Na]+
Positive
null
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
null
BABCNJVQRREITF-KINQPWHPNA-N
BABCNJVQRREITF
1,066.986742
C70H130O6
null
12.1
1
null
MS-DIAL
null
null
null
null
[[623.5018, 200], [807.7208, 200], [809.7365, 200], [1089.976, 999]]
[31.0, 0.0, 18.0, 2.0, 18.0, 1.0, 0.0, 0.0]
[[1089.976, 100.0]]
End of preview.