MassBank Record: KO003479



 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: KO003479
RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 206 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-9700000000-a4cf39ea98f467ad9511 PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 43.300 34653.5 42 54.900 54455.5 65 57.100 133663.5 161 60.200 148515.0 178 69.100 133663.5 161 71.300 49505.0 59 72.100 84158.5 101 73.300 54455.5 65 78.800 34653.5 42 81.200 79208.0 95 82.000 39604.0 48 83.100 153465.5 184 84.900 44554.5 54 86.200 450495.5 541 86.800 831684.0 999 88.100 128713.0 155 88.900 39604.0 48 91.500 54455.5 65 95.400 29703.0 36 100.300 49505.0 59 101.200 54455.5 65 104.200 128713.0 155 105.100 69307.0 83 106.100 49505.0 59 107.300 44554.5 54 111.300 128713.0 155 116.300 39604.0 48 120.200 24752.5 30 124.600 54455.5 65 127.900 108911.0 131 128.800 49505.0 59 129.200 29703.0 36 132.200 14851.5 18 133.000 44554.5 54 142.900 49505.0 59 145.100 39604.0 48 146.100 579208.5 696 160.400 173267.5 208 161.300 222772.5 268 162.900 14851.5 18 171.300 74257.5 89 174.500 19802.0 24 189.700 128713.0 155 206.600 59406.0 71 //