MassBank Record: KZ000175



 3-Aminopropionitrile; GC-EI-TOF; MS; x TMS; BP:86 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000175
RECORD_TITLE: 3-Aminopropionitrile; GC-EI-TOF; MS; x TMS; BP:86
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01408_P000085

CH$NAME: 3-Aminopropionitrile CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C3H6N2 CH$EXACT_MASS: 70.05310 CH$SMILES: NCCC#N CH$IUPAC: InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2 CH$LINK: CAS 151-18-8 CH$LINK: KEGG C05670 CH$LINK: INCHIKEY AGSPXMVUFBBBMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6048418
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1378.9 AC$CHROMATOGRAPHY: RETENTION_TIME 623.212 sec
MS$FOCUSED_ION: BASE_PEAK 86 MS$FOCUSED_ION: DERIVATIVE_TYPE x TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-3900000000-75972f9c9d6ba1c09de2 PK$NUM_PEAK: 78 PK$PEAK: m/z int. rel.int. 82 11 11 83 13 13 84 95 95 85 43 43 86 999 999 87 97 97 88 35 35 89 3 3 92 28 28 93 2 2 94 1 1 95 2 2 96 2 2 97 14 14 98 250 250 99 51 51 100 332 332 101 67 67 102 34 34 103 7 7 104 2 2 110 2 2 111 28 28 112 6 6 113 24 24 114 23 23 115 31 31 116 25 25 117 26 26 118 5 5 119 2 2 124 1 1 125 11 11 126 8 8 127 4 4 128 3 3 129 13 13 130 93 93 131 37 37 132 11 11 133 2 2 140 2 2 141 11 11 142 5 5 143 2 2 144 3 3 145 1 1 146 28 28 147 5 5 148 2 2 154 2 2 155 1 1 156 10 10 157 2 2 158 6 6 159 1 1 160 1 1 169 1 1 170 981 981 171 198 198 172 241 241 173 45 45 174 914 914 175 158 158 176 66 66 177 7 7 178 1 1 183 3 3 184 2 2 185 1 1 186 1 1 188 1 1 197 3 3 199 360 360 200 71 71 201 31 31 202 3 3 214 3 3 //

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