MassBank Record: KO000741



 Etodolac; 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: KO000741
RECORD_TITLE: Etodolac; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 286 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-01ox-0090000000-17b2c48a871d73f3071a PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 59.200 247525.0 2 77.100 44554.5 1 79.300 24752.5 1 96.800 44554.5 1 111.300 29703.0 1 136.000 54455.5 1 149.400 84158.5 1 155.600 34653.5 1 157.000 84158.5 1 158.400 64356.5 1 170.100 49505.0 1 181.900 29703.0 1 184.200 99010.0 1 185.100 1668318.5 16 186.800 19802.0 1 194.100 123762.5 1 197.000 1262377.5 12 198.500 643565.0 6 207.800 54455.5 1 209.100 54455.5 1 210.200 39604.0 1 210.600 44554.5 1 212.400 88851574.0 853 214.500 232673.5 2 224.100 613862.0 6 226.100 257426.0 2 227.000 44554.5 1 238.200 74257.5 1 240.200 54455.5 1 242.200 104104064.5 999 253.400 1287130.0 12 256.200 24752.5 1 286.500 2702973.0 26 //