MassBank Record: PB000520



 Methoxyindoleacetic acid; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000520
RECORD_TITLE: Methoxyindoleacetic acid; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 277
COMMENT: CONFIDENCE: confident structure

CH$NAME: Methoxyindoleacetic acid CH$NAME: 2-(5-methoxy-1H-indol-3-yl)acetic acid CH$COMPOUND_CLASS: Natural Product; Indole CH$FORMULA: C11H11NO3 CH$EXACT_MASS: 205.07389 CH$SMILES: COC1=CC2=C(C=C1)NC=C2CC(=O)O CH$IUPAC: InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:18986
AC$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 30 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-27318e117029d4756f51 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 103.054 114.371 10 117.057 355.995 34 130.063 228.271 21 132.077 86.014 7 133.062 696.124 68 145.049 1333.883 132 146.055 58.364 4 147.065 53.729 4 160.075 10000.000 999 161.079 303.916 29 //