MassBank Record: WA000174



 4-CPA; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000174
RECORD_TITLE: 4-CPA; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 4-CPA CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H7ClO3 CH$EXACT_MASS: 186.00837 CH$SMILES: OC(=O)COc(c1)ccc(Cl)c1 CH$IUPAC: InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) CH$LINK: CAS 122-88-3 CH$LINK: INCHIKEY SODPIMGUZLOIPE-UHFFFAOYSA-N
AC$INSTRUMENT: QuattroPremier XE, Waters AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$FOCUSED_ION: PRECURSOR_M/Z 184.8 MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-0900000000-4de6ee1a82a99028e405 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 68 8 8 91 67 67 110 8 8 119 8 8 125 12 12 127 999 999 128 12 12 141 8 8 149 8 8 194 8 8 //