MassBank Record: KO000742



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

ACCESSION: KO000742
RECORD_TITLE: Etodolac; LC-ESI-QQ; MS2; CE:40 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 E034

CH$NAME: Etodolac CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H21NO3 CH$EXACT_MASS: 287.15214 CH$SMILES: CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O CH$IUPAC: InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20) CH$LINK: KEGG C06991
AC$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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 286 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-0290000000-fe771b5ef7a99c3f79dd PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 59.300 262376.5 3 70.700 9901.0 1 77.400 59406.0 1 113.000 14851.5 1 130.900 69307.0 1 142.400 14851.5 1 144.100 64356.5 1 156.100 108911.0 1 156.900 118812.0 2 158.400 227723.0 3 169.600 94059.5 1 171.200 59406.0 1 171.500 24752.5 1 179.400 44554.5 1 180.800 29703.0 1 182.100 292079.5 4 183.500 89109.0 1 184.200 613862.0 8 185.200 2970300.0 38 194.600 772278.0 10 195.200 113861.5 1 196.300 1024753.5 13 197.300 12321794.5 159 198.500 782179.0 10 199.600 79208.0 1 208.100 361386.5 5 209.500 198020.0 3 210.100 1272278.5 16 212.300 77212948.5 999 213.200 49505.0 1 214.100 198020.0 3 222.300 24752.5 1 224.200 618812.5 8 226.100 44554.5 1 227.100 84158.5 1 238.000 59406.0 1 242.300 7693077.0 100 253.600 99010.0 1 //