ACCESSION: MSBNK-RIKEN-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$LINK: NIKKAJI J257.060B J300.705G
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 1344.3
AC$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
//