ACCESSION: MSBNK-RIKEN-PR010102
RECORD_TITLE: Tryptamine; GC-EI-TOF; MS; 2 TMS; BP:174
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$CHROMATOGRAPHY: RETENTION_INDEX 2225.3
AC$CHROMATOGRAPHY: RETENTION_TIME 523.153 sec

MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_FORM C16H28N2Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 304.1791
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-7900000000-3900b703ce7b512e882b
PK$NUM_PEAK: 108
PK$PEAK: m/z int. rel.int.
  60 22 22
  61 10 10
  62 3 3
  63 10 10
  64 2 2
  65 6 6
  66 1 1
  67 1 1
  69 1 1
  70 12 12
  71 9 9
  72 24 24
  73 987 987
  74 93 93
  75 33 33
  76 15 15
  77 88 88
  78 9 9
  79 2 2
  83 2 2
  84 6 6
  85 9 9
  86 501 501
  87 46 46
  88 20 20
  89 11 11
  90 6 6
  91 6 6
  92 1 1
  93 1 1
  98 1 1
  99 5 5
  100 223 223
  101 43 43
  102 58 58
  103 60 60
  104 8 8
  105 2 2
  113 6 6
  114 7 7
  115 34 34
  116 27 27
  117 47 47
  118 8 8
  119 4 4
  120 2 2
  127 4 4
  128 23 23
  129 17 17
  130 215 215
  131 45 45
  132 12 12
  133 3 3
  134 6 6
  135 1 1
  136 1 1
  137 34 34
  138 3 3
  140 1 1
  141 1 1
  142 8 8
  143 20 20
  144 27 27
  145 10 10
  146 35 35
  147 7 7
  148 5 5
  149 1 1
  154 1 1
  155 1 1
  156 3 3
  157 1 1
  158 12 12
  159 4 4
  160 15 15
  161 2 2
  162 1 1
  170 3 3
  171 1 1
  172 16 16
  173 5 5
  174 999 999
  175 188 188
  176 90 90
  177 10 10
  178 1 1
  184 4 4
  185 1 1
  186 6 6
  187 2 2
  188 20 20
  189 4 4
  190 2 2
  199 3 3
  200 3 3
  201 38 38
  202 8 8
  203 2 2
  214 3 3
  215 29 29
  216 6 6
  217 1 1
  287 2 2
  289 32 32
  290 8 8
  291 3 3
  304 3 3
  305 1 1
//