ACCESSION: MSBNK-Kazusa-KZ000264
RECORD_TITLE: Serotonin; GC-EI-TOF; MS; 5 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_01421_P000064

CH$NAME: Serotonin
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₁₂N₂O
CH$EXACT_MASS: 176.09496
CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN
CH$IUPAC: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
CH$LINK: CAS 50-67-9
CH$LINK: KEGG C00780
CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8075330

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 2587.4
AC$CHROMATOGRAPHY: RETENTION_TIME 1127.11 sec

MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-1900000000-461c2a1f67418e6b5d6a
PK$NUM_PEAK: 125
PK$PEAK: m/z int. rel.int.
  83 2 2
  84 5 5
  85 4 4
  86 250 250
  87 24 24
  88 10 10
  89 2 2
  91 1 1
  98 1 1
  99 2 2
  100 107 107
  101 20 20
  102 17 17
  103 4 4
  104 1 1
  105 1 1
  113 3 3
  114 4 4
  115 9 9
  116 10 10
  117 16 16
  118 3 3
  119 2 2
  121 1 1
  127 1 1
  128 4 4
  129 4 4
  130 41 41
  131 20 20
  132 7 7
  133 5 5
  134 1 1
  135 1 1
  140 1 1
  141 1 1
  142 3 3
  143 2 2
  144 8 8
  145 5 5
  146 27 27
  147 9 9
  148 3 3
  149 1 1
  154 1 1
  156 2 2
  157 1 1
  158 9 9
  159 4 4
  160 4 4
  161 2 2
  169 1 1
  170 3 3
  171 1 1
  172 14 14
  173 4 4
  174 999 999
  175 193 193
  176 88 88
  177 11 11
  178 2 2
  179 1 1
  184 2 2
  185 1 1
  186 9 9
  187 2 2
  188 2 2
  189 1 1
  190 1 1
  198 1 1
  199 1 1
  200 4 4
  201 2 2
  202 20 20
  203 4 4
  204 2 2
  205 1 1
  213 1 1
  214 1 1
  215 1 1
  216 4 4
  217 3 3
  218 5 5
  219 1 1
  228 1 1
  230 4 4
  231 1 1
  232 3 3
  233 3 3
  234 1 1
  244 2 2
  245 1 1
  246 1 1
  258 1 1
  259 1 1
  260 9 9
  261 2 2
  262 1 1
  272 1 1
  273 1 1
  274 2 2
  275 1 1
  276 1 1
  287 2 2
  288 4 4
  289 2 2
  290 31 31
  291 11 11
  292 4 4
  293 1 1
  302 3 3
  303 2 2
  304 1 1
  360 1 1
  361 9 9
  362 3 3
  363 1 1
  375 1 1
  448 1 1
  449 7 7
  450 3 3
  451 1 1
  463 1 1
  464 3 3
  465 1 1
  466 1 1
//