MassBank Record: KO001454



 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001454
RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 204 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-0900000000-8aed7fec3a54d7bd49ce PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 41.100 178218.0 12 45.700 9901.0 1 58.100 84158.5 6 59.000 207921.0 14 83.300 821783.0 56 84.300 227723.0 16 92.700 59406.0 4 101.100 34653.5 2 102.000 14539618.5 999 126.800 163366.5 11 127.300 54455.5 4 144.000 1287130.0 88 145.200 4123766.5 283 171.400 59406.0 4 //