MassBank Record: PB000524



 Camalexin; 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: PB000524
RECORD_TITLE: Camalexin; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.04.18, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 278
COMMENT: CONFIDENCE: confident structure

CH$NAME: Camalexin CH$NAME: 3-(1,3-thiazol-2-yl)-1H-indole CH$COMPOUND_CLASS: Natural Product; Indole CH$FORMULA: C11H8N2S CH$EXACT_MASS: 200.04082 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C3=NC=CS3 CH$IUPAC: InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H CH$LINK: INCHIKEY IYODIJVWGPRBGQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:636970
AC$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$SPLASH: splash10-0udi-0090000000-c7f68d9bc46c3e59af99 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 58.995 302.455 29 142.053 216.709 20 160.026 109.174 9 168.070 125.340 11 174.038 119.248 10 201.047 10000.000 999 202.052 370.396 36 //