ACCESSION: MSBNK-Kazusa-KZ000271
RECORD_TITLE: Tryptamine; GC-EI-TOF; MS; 2 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_P000051

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 2498.5
AC$CHROMATOGRAPHY: RETENTION_TIME 1067.71 sec

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

PK$SPLASH: splash10-00dr-2900000000-037af42e76613b924496
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
  83 3 3
  84 13 13
  85 14 14
  86 616 616
  87 65 65
  88 28 28
  89 18 18
  90 10 10
  91 10 10
  92 2 2
  93 1 1
  97 1 1
  98 2 2
  99 9 9
  100 305 305
  101 67 67
  102 84 84
  103 98 98
  104 13 13
  105 4 4
  106 1 1
  107 1 1
  113 11 11
  114 13 13
  115 51 51
  116 42 42
  117 69 69
  118 12 12
  119 6 6
  120 2 2
  121 1 1
  127 5 5
  128 37 37
  129 29 29
  130 337 337
  131 67 67
  132 18 18
  133 5 5
  134 9 9
  135 2 2
  136 1 1
  137 35 35
  138 4 4
  140 2 2
  141 2 2
  142 12 12
  143 30 30
  144 38 38
  145 14 14
  146 78 78
  147 14 14
  148 9 9
  149 1 1
  154 1 1
  155 2 2
  156 5 5
  157 1 1
  158 14 14
  159 4 4
  160 16 16
  161 3 3
  162 1 1
  169 1 1
  170 4 4
  171 2 2
  172 19 19
  173 6 6
  174 999 999
  175 197 197
  176 92 92
  177 11 11
  178 2 2
  184 7 7
  185 2 2
  186 9 9
  187 4 4
  188 30 30
  189 6 6
  190 3 3
  198 1 1
  199 5 5
  200 5 5
  201 54 54
  202 12 12
  203 4 4
  204 1 1
  213 1 1
  214 4 4
  215 44 44
  216 9 9
  217 2 2
  287 3 3
  288 1 1
  289 35 35
  290 9 9
  291 3 3
  303 1 1
  304 1 1
//