MassBank Record: KO000739



 Etodolac; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000739
RECORD_TITLE: Etodolac; LC-ESI-QQ; MS2; CE:10 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 286 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0090000000-1644ab62d0cb24cc769e PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 58.800 99010.0 1 60.100 49505.0 1 111.100 39604.0 1 130.100 24752.5 1 153.700 34653.5 1 154.600 29703.0 1 182.700 14851.5 1 212.200 237624.0 1 226.100 391089.5 1 240.100 39604.0 1 242.200 4178222.0 11 253.300 2965349.5 8 268.300 79208.0 1 286.300 370520172.5 999 501.000 9901.0 1 //