MassBank Record: MSBNK-Waters-WA000270
ACCESSION: MSBNK-Waters-WA000270
RECORD_TITLE: Mecoprop; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Mecoprop
CH$NAME: MCPP-P
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11ClO3
CH$EXACT_MASS: 214.03967
CH$SMILES: OC(=O)C(C)Oc(c1)c(C)cc(Cl)c1
CH$IUPAC: InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
CH$LINK: CAS
7085-19-0
CH$LINK: INCHIKEY
WNTGYJSOUMFZEP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9024194
AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 212.9
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0930000000-4ab0fe45e55785326179
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
71 55 55
141 999 999
169 16 16
213 411 411
//