ACCESSION: MSBNK-RIKEN-PR010094
RECORD_TITLE: Serotonin; GC-EI-TOF; MS; 5 TMS; BP:73
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$NAME: 5-Hydoxytryptamine
CH$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 153-98-0
CH$LINK: NIKKAJI J237.870A
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 2459.2
AC$CHROMATOGRAPHY: RETENTION_TIME 562.521 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C25H52N2OSi5
MS$FOCUSED_ION: DERIVATIVE_MASS 536.2926
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-8900000000-4b838943ace80c8b7734
PK$NUM_PEAK: 125
PK$PEAK: m/z int. rel.int.
  60 8 8
  61 5 5
  62 1 1
  63 1 1
  67 1 1
  70 4 4
  71 3 3
  72 10 10
  73 999 999
  74 83 83
  75 30 30
  76 2 2
  77 8 8
  78 1 1
  83 2 2
  84 3 3
  85 3 3
  86 181 181
  87 17 17
  88 7 7
  89 1 1
  91 1 1
  99 1 1
  100 79 79
  101 13 13
  102 11 11
  103 3 3
  105 1 1
  113 2 2
  114 2 2
  115 7 7
  116 7 7
  117 12 12
  118 2 2
  119 2 2
  127 1 1
  128 3 3
  129 3 3
  130 25 25
  131 14 14
  132 4 4
  133 3 3
  134 1 1
  135 1 1
  142 2 2
  143 2 2
  144 6 6
  145 3 3
  146 9 9
  147 5 5
  148 1 1
  149 1 1
  154 1 1
  156 2 2
  157 1 1
  158 8 8
  159 3 3
  160 2 2
  161 1 1
  169 1 1
  170 2 2
  171 1 1
  172 11 11
  173 3 3
  174 963 963
  175 174 174
  176 83 83
  177 10 10
  178 2 2
  184 2 2
  185 1 1
  186 7 7
  187 2 2
  188 2 2
  190 1 1
  198 1 1
  199 1 1
  200 3 3
  201 2 2
  202 16 16
  203 3 3
  204 2 2
  214 1 1
  215 1 1
  216 3 3
  217 3 3
  218 4 4
  219 1 1
  230 3 3
  231 1 1
  232 3 3
  233 2 2
  234 1 1
  244 1 1
  246 1 1
  258 1 1
  260 8 8
  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 26 26
  291 9 9
  292 3 3
  293 1 1
  302 3 3
  303 2 2
  304 1 1
  361 7 7
  362 3 3
  363 1 1
  375 1 1
  448 1 1
  449 7 7
  450 3 3
  451 1 1
  464 5 5
  465 3 3
  466 1 1
//