MassBank Record: MSBNK-Keio_Univ-KO004020
ACCESSION: MSBNK-Keio_Univ-KO004020
RECORD_TITLE: Serotonin; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 177
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-1900000000-e470cd23466404f9bf5b
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
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//
system version 2.2.6-SNAPSHOT