MassBank Record: PR010131



 3-Aminopropionitrile; GC-EI-TOF; MS; n TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010131
RECORD_TITLE: 3-Aminopropionitrile; GC-EI-TOF; MS; n TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: 3-Aminopropionitrile fumarate CH$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 2079-89-2 CH$LINK: NIKKAJI J257.060B J300.705G
AC$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: RETENTION_INDEX 1271.4 AC$CHROMATOGRAPHY: RETENTION_TIME 299.478 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C{3+3*n}H{6+8*n}N2Si{n} MS$FOCUSED_ION: DERIVATIVE_MASS 70.0531+72.03953*n MS$FOCUSED_ION: DERIVATIVE_TYPE n TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9800000000-a9d53e8af368cf281f3c PK$NUM_PEAK: 94 PK$PEAK: m/z int. rel.int. 60 41 41 61 18 18 63 1 1 64 1 1 65 1 1 66 2 2 67 4 4 68 3 3 69 8 8 70 172 172 71 34 34 72 52 52 73 999 999 74 83 83 75 27 27 76 1 1 77 6 6 78 11 11 79 1 1 81 5 5 82 6 6 83 8 8 84 56 56 85 26 26 86 676 676 87 61 61 88 23 23 89 2 2 92 25 25 93 2 2 95 1 1 96 1 1 97 6 6 98 152 152 99 31 31 100 220 220 101 43 43 102 22 22 103 5 5 104 2 2 110 1 1 111 18 18 112 4 4 113 16 16 114 17 17 115 24 24 116 19 19 117 21 21 118 4 4 119 1 1 125 8 8 126 7 7 128 2 2 129 11 11 130 72 72 131 30 30 132 8 8 133 2 2 140 2 2 141 9 9 142 5 5 143 2 2 144 3 3 145 1 1 146 26 26 147 4 4 148 2 2 154 2 2 155 3 3 156 11 11 157 3 3 158 6 6 159 1 1 160 1 1 169 2 2 170 545 545 171 103 103 172 122 122 173 24 24 174 598 598 175 96 96 176 46 46 177 5 5 183 2 2 184 1 1 185 1 1 197 1 1 198 4 4 199 229 229 200 45 45 201 20 20 202 2 2 214 6 6 215 1 1 //