ACCESSION: MSBNK-Kazusa-KZ000272
RECORD_TITLE: Tryptamine; GC-EI-TOF; MS; 3 TMS; BP:174
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01402_P000050

CH$NAME: Tryptamine
CH$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: KEGG C00398
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 2380.8
AC$CHROMATOGRAPHY: RETENTION_TIME 1028.71 sec

MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-1900000000-0f82cbf608e15678c41e
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  83 2 2
  84 9 9
  85 7 7
  86 342 342
  87 35 35
  88 14 14
  89 3 3
  90 1 1
  91 2 2
  93 1 1
  98 1 1
  99 4 4
  100 165 165
  101 32 32
  102 28 28
  103 9 9
  104 2 2
  105 4 4
  106 1 1
  113 5 5
  114 6 6
  115 15 15
  116 21 21
  117 32 32
  118 6 6
  119 5 5
  120 1 1
  127 1 1
  128 4 4
  129 11 11
  130 70 70
  131 26 26
  132 9 9
  133 3 3
  134 2 2
  135 1 1
  141 1 1
  142 2 2
  143 6 6
  144 16 16
  145 21 21
  146 23 23
  147 5 5
  148 2 2
  154 1 1
  156 5 5
  157 1 1
  158 10 10
  159 4 4
  160 7 7
  161 1 1
  169 2 2
  170 8 8
  171 2 2
  172 20 20
  173 15 15
  174 999 999
  175 197 197
  176 88 88
  177 11 11
  178 2 2
  182 1 1
  184 6 6
  185 2 2
  186 14 14
  187 4 4
  188 5 5
  189 1 1
  198 1 1
  199 4 4
  200 11 11
  201 3 3
  202 46 46
  203 11 11
  204 3 3
  213 1 1
  214 5 5
  215 5 5
  216 3 3
  217 1 1
  230 1 1
  244 1 1
  245 1 1
  246 3 3
  247 1 1
  257 1 1
  258 1 1
  260 1 1
  271 1 1
  272 1 1
  273 30 30
  274 8 8
  275 3 3
  287 6 6
  288 1 1
  361 10 10
  362 3 3
  363 1 1
  376 2 2
  377 1 1
//