MassBank Record: PB000521



 Methoxyindoleacetic acid; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000521
RECORD_TITLE: Methoxyindoleacetic acid; LC-ESI-QTOF; MS2; CE:40 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 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-02u1-0900000000-fc96484038377a19704e PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 45.033 80.944 7 77.035 367.148 35 79.053 232.494 22 89.037 71.362 6 90.045 482.134 47 91.053 168.192 15 95.047 50.937 4 101.039 67.075 5 103.055 1961.570 195 104.050 404.216 39 105.069 272.335 26 115.053 95.317 8 116.048 98.848 8 117.057 9014.046 900 118.050 1044.708 103 119.044 43.876 3 128.047 330.080 32 129.049 95.822 8 130.062 1174.572 116 131.063 126.333 11 132.043 611.998 60 133.061 3961.974 395 134.063 169.453 15 144.043 52.702 4 145.049 10000.000 999 146.055 629.145 61 147.065 113.977 10 160.075 8707.921 869 161.078 316.716 30 //