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MassBank Record: KO004018

Serotonin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO004018
RECORD_TITLE: Serotonin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID S041

CH$NAME: Serotonin
CH$NAME: 3-(2-Aminoethyl)-1H-indol-5-ol
CH$NAME: 5-Hydroxytryptamine
CH$NAME: Enteramine
CH$COMPOUND_CLASS: N/A
CH$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$LINK: CHEBI 28790
CH$LINK: KEGG C00780
CH$LINK: NIKKAJI J4.107F
CH$LINK: PUBCHEM SID:4041
CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8075330

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 177
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-0900000000-8a171ac4fdc0474f7f48
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  70.900 59406.0 1
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  80.600 29703.0 1
  84.100 19802.0 1
  89.800 19802.0 1
  96.300 29703.0 1
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  100.400 19802.0 1
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  107.400 29703.0 1
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  114.900 638614.5 8
  117.200 361386.5 5
  120.800 29703.0 1
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  128.100 207921.0 3
  131.000 54455.5 1
  132.200 1430694.5 18
  132.900 311881.5 4
  134.100 24752.5 1
  141.900 450495.5 6
  143.200 148515.0 2
  144.300 34653.5 1
  148.000 153465.5 2
  148.900 24752.5 1
  159.300 198020.0 3
  160.200 78524831.0 999
  177.200 74257.5 1
//

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