MassBank Record: KO000455



 Chlorzoxazone; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000455
RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-003i-9100000000-8a0cf328f650c7cd4780 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 26.400 84158.5 17 35.200 4990104.0 999 42.200 1628714.5 326 49.400 54455.5 11 50.200 2881191.0 577 54.300 287129.0 57 61.000 242574.5 49 62.900 29703.0 6 65.200 133663.5 27 76.000 3658419.5 732 76.900 242574.5 49 79.300 59406.0 12 82.000 569307.5 114 89.000 792080.0 159 103.900 306931.0 61 104.400 49505.0 10 124.800 34653.5 7 132.000 2688121.5 538 167.200 49505.0 10 168.300 128713.0 26 //