MassBank Record: KO000454



 Chlorzoxazone; 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: KO000454
RECORD_TITLE: Chlorzoxazone; 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 C042

CH$NAME: Chlorzoxazone CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H4ClNO2 CH$EXACT_MASS: 168.99306 CH$SMILES: O=C(O1)Nc(c2)c(ccc(Cl)2)1 CH$IUPAC: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) CH$LINK: CAS 95-25-0 CH$LINK: KEGG C07931 CH$LINK: NIKKAJI J3.950K CH$LINK: PUBCHEM SID:10133
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 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-4900000000-b7b03cbc9d434e2b03f2 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 35.200 5935649.5 145 42.000 1282179.5 31 49.300 113861.5 3 50.200 1534655.0 37 54.100 64356.5 2 58.900 9901.0 1 61.100 34653.5 1 62.700 44554.5 1 76.200 13430706.5 327 77.200 361386.5 9 79.000 79208.0 2 80.200 19802.0 1 81.900 356436.0 9 88.600 79208.0 2 89.100 1331684.5 32 95.500 39604.0 1 104.200 2673270.0 65 105.000 301980.5 7 125.100 376238.0 9 131.000 74257.5 2 131.900 40980239.0 999 168.000 5534659.0 135 //