MassBank Record: KO002784



 Diclofenac; 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: KO002784
RECORD_TITLE: Diclofenac; 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 D128

CH$NAME: Diclofenac CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H11Cl2NO2 CH$EXACT_MASS: 295.01668 CH$SMILES: OC(=O)Cc(c2)c(ccc2)Nc(c(Cl)1)c(Cl)ccc1 CH$IUPAC: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) CH$LINK: CAS 15307-86-5 CH$LINK: KEGG C01690 CH$LINK: NIKKAJI J8.557J CH$LINK: PUBCHEM SID:4831
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 296 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03dj-1590000000-fbe48d026f4e8bbc143f PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 57.400 400990.5 62 68.900 69307.0 11 73.600 54455.5 8 81.000 54455.5 8 84.100 9901.0 2 87.100 44554.5 7 88.900 44554.5 7 90.200 44554.5 7 95.900 198020.0 31 97.300 34653.5 5 102.500 14851.5 2 104.900 19802.0 3 107.000 34653.5 5 109.200 128713.0 20 117.300 29703.0 5 121.000 183168.5 28 125.900 44554.5 7 131.100 14851.5 2 134.200 24752.5 4 149.300 4361390.5 675 170.100 39604.0 6 180.100 163366.5 25 211.500 14851.5 2 214.200 6450501.5 999 215.200 1500001.5 232 //