MassBank Record: KO003481



 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003481
RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M078

CH$NAME: 5-Methoxy-3-indoleaceate CH$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 SID:7971 CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 206 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-05n1-9100000000-0ff3c25c94ca7b6e75da PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 40.800 19802.0 154 45.100 74257.5 576 55.500 19802.0 154 57.000 44554.5 346 59.600 19802.0 154 66.100 24752.5 192 69.000 99010.0 768 81.900 14851.5 115 86.000 128713.0 999 104.300 39604.0 307 127.800 14851.5 115 //