MassBank Record: KO009068



 5-Methoxy-3-indoleacetic acid; LC-ESI-IT; MS3; m/z: 206/160; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO009068
RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-IT; MS3; m/z: 206/160; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M078
COMMENT: [MS2] KO009067

CH$NAME: 5-Methoxy-3-indoleacetate CH$NAME: 5-Methoxyindoleacetate CH$NAME: 5-Methoxy-3-indoleacetic acid CH$COMPOUND_CLASS: N/A 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$LINK: KEGG C05660 CH$LINK: PUBCHEM 7971 CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.60
MS$FOCUSED_ION: PRECURSOR_M/Z 206/160 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-03di-0900000000-180323fe2fd29c1f5d75 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 102.9 5.62 2 105.1 5.38 2 115.0 6.15 2 116.2 10.54 4 117.1 37.31 12 118.1 11.84 4 119.0 5.92 2 120.2 2.62 1 130.1 37.76 13 130.9 3.77 1 132.1 38.69 13 133.1 203.53 68 134.1 20.92 7 145.0 478.13 159 146.1 30.38 10 148.1 14.31 5 160.0 27.69 9 161.1 3006.07 999 162.2 1.23 1 174.1 1.62 1 178.0 2.38 1 179.1 14.31 5 187.1 34.84 12 188.1 8.00 3 204.4 1.46 1 205.1 15.15 5 232.0 9.23 3 247.2 19.15 6 248.1 4.54 2 249.1 4.61 2 //