ACCESSION: MSBNK-RIKEN-PR010103
RECORD_TITLE: Tryptamine; GC-EI-TOF; MS; 3 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$NAME: 3-(2-Aminoethyl)indole [Tryptamine]
CH$NAME: Tryptamine
CH$NAME: 3-(2-Aminoethyl)indole
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₁₂N₂
CH$EXACT_MASS: 160.10005
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CCN
CH$IUPAC: InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
CH$LINK: CAS 61-54-1
CH$LINK: CHEBI 16765
CH$LINK: KEGG C00398
CH$LINK: NIKKAJI J4.816J
CH$LINK: PUBCHEM 3688
CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2075340

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$CHROMATOGRAPHY: RETENTION_INDEX 2230.8
AC$CHROMATOGRAPHY: RETENTION_TIME 524.11 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C19H36N2Si3
MS$FOCUSED_ION: DERIVATIVE_MASS 376.21863
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-8900000000-f45a71db0a2ef37bb21e
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
  60 11 11
  61 4 4
  63 1 1
  65 1 1
  67 1 1
  70 7 7
  71 5 5
  72 16 16
  73 999 999
  74 85 85
  75 27 27
  76 3 3
  77 6 6
  78 1 1
  79 1 1
  83 1 1
  84 5 5
  85 4 4
  86 220 220
  87 21 21
  88 8 8
  89 2 2
  91 1 1
  93 1 1
  99 2 2
  100 102 102
  101 18 18
  102 17 17
  103 5 5
  104 1 1
  105 2 2
  113 2 2
  114 2 2
  115 9 9
  116 12 12
  117 20 20
  118 4 4
  119 3 3
  120 1 1
  128 2 2
  129 6 6
  130 42 42
  131 17 17
  132 6 6
  133 2 2
  134 1 1
  142 1 1
  143 4 4
  144 11 11
  145 14 14
  146 11 11
  147 2 2
  148 1 1
  156 3 3
  157 1 1
  158 9 9
  159 3 3
  160 5 5
  161 1 1
  169 1 1
  170 5 5
  171 1 1
  172 14 14
  173 13 13
  174 886 886
  175 164 164
  176 78 78
  177 9 9
  178 1 1
  184 4 4
  185 1 1
  186 8 8
  187 3 3
  188 3 3
  198 1 1
  199 3 3
  200 7 7
  201 1 1
  202 31 31
  203 8 8
  204 2 2
  213 1 1
  214 3 3
  215 3 3
  216 2 2
  244 1 1
  246 2 2
  258 1 1
  273 23 23
  274 6 6
  275 2 2
  287 4 4
  288 1 1
  361 10 10
  362 3 3
  363 1 1
  376 5 5
  377 2 2
//