ACCESSION: MSBNK-Osaka_Univ-OUF00478
RECORD_TITLE: Tryptamine; GC-EI-TOF; MS; n TMS; RT:856.221 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

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: CHEBI 16765
CH$LINK: CHEMSPIDER 1118
CH$LINK: KEGG C00398
CH$LINK: PUBCHEM CID:1150
CH$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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 2230.371
AC$CHROMATOGRAPHY: RETENTION_TIME 856.221 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-00di-2900000000-a7c4e80f196945c43f38
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
  85 10 10
  86 465 465
  87 47 47
  88 20 20
  89 12 12
  90 6 6
  91 7 7
  92 2 2
  93 1 1
  98 1 1
  99 6 6
  100 211 211
  101 43 43
  102 62 62
  103 52 52
  104 8 8
  105 3 3
  113 7 7
  114 8 8
  115 34 34
  116 28 28
  117 47 47
  118 9 9
  119 5 5
  120 2 2
  127 4 4
  128 20 20
  129 17 17
  130 205 205
  131 47 47
  132 14 14
  133 4 4
  134 7 7
  135 2 2
  136 1 1
  137 33 33
  138 4 4
  140 1 1
  141 1 1
  142 9 9
  143 23 23
  144 27 27
  145 12 12
  146 43 43
  147 9 9
  148 7 7
  149 1 1
  154 1 1
  155 2 2
  156 5 5
  157 1 1
  158 13 13
  159 4 4
  160 17 17
  161 3 3
  162 1 1
  169 1 1
  170 5 5
  171 2 2
  172 19 19
  173 7 7
  174 999 999
  175 188 188
  176 84 84
  177 10 10
  178 2 2
  184 6 6
  185 2 2
  186 8 8
  187 3 3
  188 24 24
  189 5 5
  190 2 2
  199 4 4
  200 4 4
  201 36 36
  202 9 9
  203 3 3
  214 4 4
  215 29 29
  216 7 7
  217 2 2
  287 2 2
  288 1 1
  289 26 26
  290 8 8
  291 3 3
  304 2 2
//