MassBank Record: PB001417



 Serotonin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB001417
RECORD_TITLE: Serotonin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.05.25, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 741
COMMENT: CONFIDENCE: confident structure

CH$NAME: Serotonin CH$NAME: 3-(2-aminoethyl)-1H-indol-5-ol CH$COMPOUND_CLASS: Natural Product; Indole CH$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: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N CH$LINK: KEGG C00780 CH$LINK: PUBCHEM CID:5202
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-08840bc938c367dacbb2 PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 115.979 148.813 13 132.083 275.160 26 159.951 194.572 18 160.073 10000.000 999 //