MassBank Record: KO000451



 Chlorzoxazone; 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: KO000451
RECORD_TITLE: Chlorzoxazone; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0900000000-5049b81b3f21c5158973 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 97.100 19802.0 1 109.800 94059.5 1 123.300 99010.0 1 124.300 19802.0 1 132.000 1782180.0 2 135.000 24752.5 1 166.700 202970.5 1 168.000 1068783247.0 999 168.500 107767434.5 101 //