MassBank Record: KO001453



 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001453
RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 204 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udl-0900000000-4ecf8c9d3192ce786ee1 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 58.600 54455.5 4 59.900 34653.5 3 82.900 24752.5 2 83.500 19802.0 2 92.800 59406.0 5 102.000 12316844.0 999 125.700 103960.5 8 127.200 717822.5 58 143.100 138614.0 11 144.200 7173274.5 582 145.100 5831689.0 473 160.200 1910893.0 155 171.400 534654.0 43 204.100 178218.0 14 //