MassBank Record: PR010132



 3-Aminopropionitrile; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010132
RECORD_TITLE: 3-Aminopropionitrile; GC-EI-TOF; MS; 2 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 1344.3 AC$CHROMATOGRAPHY: RETENTION_TIME 321.852 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C9H22N2Si2 MS$FOCUSED_ION: DERIVATIVE_MASS 214.13215 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-006t-9640000000-2a51789533a4a0d4beed PK$NUM_PEAK: 103 PK$PEAK: m/z int. rel.int. 60 21 21 61 72 72 62 5 5 63 5 5 64 4 4 65 1 1 66 26 26 67 14 14 68 3 3 69 23 23 70 12 12 71 14 14 72 30 30 73 999 999 74 96 96 75 374 374 76 36 36 77 49 49 78 5 5 79 4 4 81 7 7 82 18 18 83 175 175 84 74 74 85 32 32 86 5 5 87 6 6 88 1 1 89 9 9 93 2 2 95 1 1 97 8 8 98 16 16 99 16 16 100 4 4 101 4 4 102 2 2 103 13 13 104 2 2 105 5 5 111 3 3 112 1 1 113 22 22 114 2 2 115 89 89 116 9 9 117 19 19 118 3 3 119 9 9 120 1 1 121 3 3 126 13 13 127 34 34 128 16 16 129 8 8 130 1 1 131 19 19 132 7 7 133 113 113 134 16 16 135 11 11 136 1 1 141 3 3 142 7 7 143 206 206 144 25 25 145 11 11 146 2 2 147 616 616 148 91 91 149 77 77 150 9 9 151 4 4 155 54 54 156 9 9 157 28 28 158 4 4 159 6 6 160 1 1 161 1 1 170 11 11 171 12 12 172 2 2 173 6 6 174 1 1 185 1 1 201 6 6 202 1 1 203 1 1 215 5 5 216 1 1 217 31 31 218 9 9 219 4 4 220 1 1 230 1 1 242 2 2 244 3 3 245 811 811 246 149 149 247 67 67 248 8 8 249 1 1 //