ACCESSION: MSBNK-RIKEN-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$LINK: NIKKAJI J257.060B J300.705G
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 1271.4
AC$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
//