FORMULA: C5H9BrN4 MOLECULAR_WEIGHT: 204.0 NIST: 486930 DB: 1 SMILES: CN(C)c1nc(Br)nn1C INCHIKEY: QPGCLRNPGBADMD-UHFFFAOYSA-N COMPOUND_NAME: 3-Bromo-N,N,1-trimethyl-1H-1,2,4-triazol-5-amine PARENT_MASS: 204.001058 NUM PEAKS: 84 12.0 0.006006006006006006 13.0 0.01001001001001001 14.0 0.007007007007007007 15.0 1.0 16.0 0.005005005005005005 26.0 0.018018018018018018 27.0 0.0890890890890891 28.0 0.5685685685685685 29.0 0.19019019019019018 30.0 0.056056056056056056 31.0 0.004004004004004004 35.0 0.001001001001001001 36.0 0.02002002002002002 38.0 0.024024024024024024 39.0 0.022022022022022022 40.0 0.0960960960960961 41.0 0.06906906906906907 42.0 0.3763763763763764 43.0 0.2802802802802803 44.0 0.4874874874874875 45.0 0.013013013013013013 52.0 0.01001001001001001 53.0 0.05005005005005005 54.0 0.04904904904904905 55.0 0.1841841841841842 56.0 0.1941941941941942 57.0 0.021021021021021023 58.0 0.008008008008008008 66.0 0.007007007007007007 67.0 0.12512512512512514 68.0 0.005005005005005005 69.0 0.0980980980980981 70.0 0.03303303303303303 71.0 0.35235235235235235 72.0 0.008008008008008008 73.0 0.002002002002002002 79.0 0.016016016016016016 80.0 0.03303303303303303 81.0 0.04104104104104104 82.0 0.14814814814814814 83.0 0.03803803803803804 84.0 0.003003003003003003 85.0 0.04104104104104104 93.0 0.002002002002002002 95.0 0.001001001001001001 96.0 0.07307307307307308 97.0 0.006006006006006006 105.0 0.003003003003003003 106.0 0.04004004004004004 107.0 0.004004004004004004 108.0 0.04104104104104104 109.0 0.13213213213213212 110.0 0.003003003003003003 120.0 0.008008008008008008 122.0 0.01001001001001001 123.0 0.004004004004004004 125.0 0.38238238238238237 126.0 0.022022022022022022 133.0 0.031031031031031032 134.0 0.08608608608608609 135.0 0.03403403403403404 136.0 0.08508508508508508 137.0 0.002002002002002002 147.0 0.008008008008008008 149.0 0.007007007007007007 161.0 0.001001001001001001 162.0 0.03403403403403404 163.0 0.004004004004004004 164.0 0.03303303303303303 165.0 0.004004004004004004 174.0 0.002002002002002002 175.0 0.0890890890890891 176.0 0.008008008008008008 177.0 0.08808808808808809 178.0 0.008008008008008008 189.0 0.14614614614614616 190.0 0.013013013013013013 191.0 0.14214214214214213 192.0 0.012012012012012012 203.0 0.007007007007007007 204.0 0.18618618618618618 205.0 0.01901901901901902 206.0 0.18118118118118118 207.0 0.012012012012012012 FORMULA: CH3F2N MOLECULAR_WEIGHT: 67.0 NIST: 205 DB: 2 SMILES: CN(F)F INCHIKEY: KTNJOGGUCNTDHY-UHFFFAOYSA-N COMPOUND_NAME: Methanamine, N,N-difluoro- PARENT_MASS: 67.0233555 NUM PEAKS: 17 12.0 0.02702702702702703 13.0 0.044044044044044044 14.0 0.07807807807807808 15.0 1.0 19.0 0.02702702702702703 20.0 0.014014014014014014 26.0 0.022022022022022022 27.0 0.15815815815815815 28.0 0.7957957957957958 29.0 0.056056056056056056 33.0 0.043043043043043044 46.0 0.08408408408408409 47.0 0.036036036036036036 52.0 0.004004004004004004 66.0 0.055055055055055056 67.0 0.3833833833833834 68.0 0.005005005005005005 FORMULA: C7H10N2 MOLECULAR_WEIGHT: 122.0 NIST: 428623 DB: 4 SMILES: CN(C)c1ccccn1 INCHIKEY: PSHKMPUSSFXUIA-UHFFFAOYSA-N COMPOUND_NAME: N,N-Dimethyl-2-pyridinamine PARENT_MASS: 122.0843983 NUM PEAKS: 49 13.0 0.011011011011011011 14.0 0.1031031031031031 15.0 1.0 16.0 0.015015015015015015 26.0 0.07707707707707707 27.0 0.1021021021021021 28.0 0.3963963963963964 29.0 0.04704704704704705 30.0 0.008008008008008008 37.0 0.03003003003003003 38.0 0.06506506506506507 39.0 0.14314314314314314 40.0 0.11011011011011011 41.0 0.13613613613613615 42.0 0.7047047047047047 43.0 0.07707707707707707 44.0 0.07207207207207207 49.0 0.02902902902902903 50.0 0.13113113113113112 51.0 0.22722722722722724 52.0 0.21521521521521522 53.0 0.09009009009009009 54.0 0.016016016016016016 55.0 0.007007007007007007 63.0 0.011011011011011011 64.0 0.025025025025025027 65.0 0.016016016016016016 66.0 0.01901901901901902 67.0 0.01001001001001001 68.0 0.009009009009009009 69.0 0.014014014014014014 75.0 0.026026026026026026 76.0 0.04804804804804805 77.0 0.01701701701701702 78.0 0.3353353353353353 79.0 0.3133133133133133 80.0 0.07107107107107107 81.0 0.006006006006006006 92.0 0.026026026026026026 93.0 0.3983983983983984 94.0 0.04504504504504504 95.0 0.005005005005005005 105.0 0.013013013013013013 106.0 0.005005005005005005 107.0 0.4914914914914915 108.0 0.04104104104104104 121.0 0.05305305305305305 122.0 0.25325325325325326 123.0 0.03203203203203203 FORMULA: C2H6N2 MOLECULAR_WEIGHT: 58.0 NIST: 136 DB: 5 SMILES: C/N=N/C INCHIKEY: JCCAVOLDXDEODY-ONEGZZNKSA-N COMPOUND_NAME: Diazene, dimethyl- PARENT_MASS: 58.0530982 NUM PEAKS: 27 2.0 0.007007007007007007 12.0 0.012012012012012012 13.0 0.035035035035035036 14.0 0.1041041041041041 15.0 1.0 16.0 0.013013013013013013 17.0 0.001001001001001001 24.0 0.001001001001001001 25.0 0.001001001001001001 26.0 0.018018018018018018 27.0 0.12912912912912913 28.0 0.2902902902902903 29.0 0.01901901901901902 30.0 0.028028028028028028 31.0 0.001001001001001001 39.0 0.001001001001001001 40.0 0.002002002002002002 41.0 0.023023023023023025 42.0 0.1781781781781782 43.0 0.35135135135135137 44.0 0.008008008008008008 54.0 0.001001001001001001 55.0 0.002002002002002002 56.0 0.002002002002002002 57.0 0.01701701701701702 58.0 0.15515515515515516 59.0 0.004004004004004004 FORMULA: C4H5NO2 MOLECULAR_WEIGHT: 99.0 NIST: 460744 DB: 14 SMILES: COC(=O)CC#N INCHIKEY: ANGDWNBGPBMQHW-UHFFFAOYSA-N COMPOUND_NAME: Acetic acid, cyano-, methyl ester PARENT_MASS: 99.032028 NUM PEAKS: 27 12.0 0.013013013013013013 14.0 0.03303303303303303 15.0 1.0 16.0 0.015015015015015015 27.0 0.001001001001001001 28.0 0.026026026026026026 29.0 0.06406406406406406 30.0 0.0 31.0 0.03003003003003003 32.0 0.0 33.0 0.0 38.0 0.001001001001001001 39.0 0.08508508508508508 40.0 0.26626626626626626 41.0 0.001001001001001001 42.0 0.021021021021021023 45.0 0.002002002002002002 54.0 0.021021021021021023 55.0 0.03403403403403404 57.0 0.001001001001001001 59.0 0.6546546546546547 60.0 0.026026026026026026 67.0 0.003003003003003003 68.0 0.35035035035035034 69.0 0.012012012012012012 99.0 0.014014014014014014 100.0 0.0 FORMULA: C2H2 MOLECULAR_WEIGHT: 26.0 NIST: 18811 DB: 31 SMILES: C#C INCHIKEY: HSFWRNGVRCDJHI-UHFFFAOYSA-N COMPOUND_NAME: Acetylene PARENT_MASS: 26.01565 NUM PEAKS: 8 12.0 0.025025025025025027 13.0 0.056056056056056056 14.0 0.002002002002002002 24.0 0.056056056056056056 25.0 0.2012012012012012 26.0 1.0 27.0 0.028028028028028028 28.0 0.002002002002002002 FORMULA: C2H2 MOLECULAR_WEIGHT: 26.0 NIST: 8 DB: 32 SMILES: C#C INCHIKEY: HSFWRNGVRCDJHI-UHFFFAOYSA-N COMPOUND_NAME: Acetylene PARENT_MASS: 26.01565 NUM PEAKS: 7 12.0 0.011011011011011011 13.0 0.042042042042042045 14.0 0.003003003003003003 24.0 0.056056056056056056 25.0 0.20520520520520522 26.0 1.0 27.0 0.022022022022022022 FORMULA: C6H7NO2 MOLECULAR_WEIGHT: 125.0 NIST: 428033 DB: 33 SMILES: CCN1C(=O)C=CC1=O INCHIKEY: HDFGOPSGAURCEO-UHFFFAOYSA-N COMPOUND_NAME: 1H-Pyrrole-2,5-dione, 1-ethyl- PARENT_MASS: 125.0476785 NUM PEAKS: 44 14.0 0.03303303303303303 15.0 0.14214214214214213 16.0 0.02002002002002002 18.0 0.06006006006006006 25.0 0.07107107107107107 26.0 1.0 27.0 0.4974974974974975 28.0 0.7927927927927928 29.0 0.2002002002002002 30.0 0.04004004004004004 31.0 0.024024024024024024 32.0 0.07507507507507508 36.0 0.013013013013013013 37.0 0.06106106106106106 38.0 0.09009009009009009 40.0 0.3153153153153153 41.0 0.3793793793793794 42.0 0.6706706706706707 44.0 0.37037037037037035 45.0 0.026026026026026026 50.0 0.015015015015015015 51.0 0.026026026026026026 52.0 0.06806806806806807 53.0 0.38738738738738737 54.0 0.6816816816816816 55.0 0.23923923923923923 56.0 0.19519519519519518 57.0 0.013013013013013013 61.0 0.009009009009009009 63.0 0.007007007007007007 64.0 0.006006006006006006 68.0 0.01701701701701702 69.0 0.03003003003003003 70.0 0.02702702702702703 71.0 0.012012012012012012 80.0 0.02002002002002002 82.0 0.21121121121121122 83.0 0.015015015015015015 96.0 0.02902902902902903 110.0 0.6396396396396397 111.0 0.036036036036036036 124.0 0.013013013013013013 125.0 0.5705705705705706 126.0 0.04804804804804805 FORMULA: C2H3Cl MOLECULAR_WEIGHT: 62.0 NIST: 35018 DB: 59 SMILES: C=CCl INCHIKEY: BZHJMEDXRYGGRV-UHFFFAOYSA-N COMPOUND_NAME: Ethene, chloro- PARENT_MASS: 61.9923277 NUM PEAKS: 22 25.0 0.13713713713713713 26.0 0.34034034034034033 27.0 1.0 28.0 0.023023023023023025 29.0 0.0 35.0 0.08708708708708708 36.0 0.01901901901901902 37.0 0.028028028028028028 38.0 0.006006006006006006 47.0 0.042042042042042045 48.0 0.01701701701701702 49.0 0.014014014014014014 50.0 0.006006006006006006 51.0 0.0 52.0 0.0 59.0 0.014014014014014014 60.0 0.04604604604604605 61.0 0.06806806806806807 62.0 0.7667667667667668 63.0 0.03803803803803804 64.0 0.24224224224224225 65.0 0.005005005005005005 FORMULA: C3H6O2S MOLECULAR_WEIGHT: 106.0 NIST: 163431 DB: 60 SMILES: C=CS(C)(=O)=O INCHIKEY: WUIJTQZXUURFQU-UHFFFAOYSA-N COMPOUND_NAME: Ethene, (methylsulfonyl)- PARENT_MASS: 106.0088506 NUM PEAKS: 57 25.0 0.007007007007007007 26.0 0.0920920920920921 27.0 1.0 28.0 0.011011011011011011 30.0 0.0 31.0 0.03203203203203203 33.0 0.001001001001001001 34.0 0.008008008008008008 35.0 0.003003003003003003 36.0 0.0 37.0 0.001001001001001001 38.0 0.003003003003003003 39.0 0.023023023023023025 40.0 0.003003003003003003 41.0 0.013013013013013013 42.0 0.01001001001001001 43.0 0.1021021021021021 44.0 0.26626626626626626 45.0 0.055055055055055056 46.0 0.03203203203203203 47.0 0.057057057057057055 48.0 0.2002002002002002 49.0 0.02902902902902903 50.0 0.02002002002002002 51.0 0.001001001001001001 52.0 0.0 55.0 0.001001001001001001 56.0 0.0 57.0 0.03403403403403404 58.0 0.014014014014014014 59.0 0.007007007007007007 60.0 0.011011011011011011 61.0 0.07407407407407407 62.0 0.007007007007007007 63.0 0.8478478478478478 64.0 0.21121121121121122 65.0 0.35135135135135137 66.0 0.01001001001001001 67.0 0.013013013013013013 69.0 0.002002002002002002 70.0 0.0 71.0 0.0 73.0 0.0 74.0 0.002002002002002002 75.0 0.003003003003003003 77.0 0.07607607607607608 78.0 0.005005005005005005 79.0 0.05005005005005005 80.0 0.044044044044044044 81.0 0.003003003003003003 82.0 0.001001001001001001 91.0 0.14614614614614616 92.0 0.004004004004004004 93.0 0.006006006006006006 95.0 0.0 106.0 0.001001001001001001 107.0 0.012012012012012012