MassBank Record: PB001418



 Serotonin; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB001418
RECORD_TITLE: Serotonin; LC-ESI-QTOF; MS2; CE:25 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$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03yi-0900000000-858936972fd87c0c0b14 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 56.942 144.000 13 67.040 644.878 63 72.937 111.220 10 74.951 112.390 10 77.034 68.527 5 79.052 144.976 13 85.945 92.449 8 91.053 180.293 17 94.040 124.488 11 96.939 274.537 26 103.053 115.220 10 105.070 1312.195 130 107.049 115.220 10 114.946 117.561 10 115.054 4485.854 447 115.980 73.405 6 116.050 180.293 17 117.058 2601.951 259 130.067 432.781 42 131.066 794.927 78 131.973 173.268 16 132.083 4488.781 447 133.065 1668.293 165 140.051 111.512 10 141.057 95.707 8 142.065 1845.854 183 143.072 1185.366 117 144.048 217.854 20 145.052 155.902 14 159.069 1487.805 147 160.076 10000.000 999 //