MassBank Record: MSBNK-Waters-WA000148
ACCESSION: MSBNK-Waters-WA000148
RECORD_TITLE: Benzofenap; LC-ESI-QQ; MS2; CE:40 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$NAME: Benzofenap
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H20Cl2N2O3
CH$EXACT_MASS: 430.08510
CH$SMILES: Cc(c3)ccc(c3)C(=O)COc(n(C)2)c(c(C)n2)C(=O)c(c1)c(Cl)c(C)c(Cl)c1
CH$IUPAC: InChI=1S/C22H20Cl2N2O3/c1-12-5-7-15(8-6-12)18(27)11-29-22-19(14(3)25-26(22)4)21(28)16-9-10-17(23)13(2)20(16)24/h5-10H,11H2,1-4H3
CH$LINK: CAS
82692-44-2
CH$LINK: INCHIKEY
JDWQITFHZOBBFE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5058193
AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 431.24
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-1900000000-1f32273dd968aafab92f
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
71 43 43
77 16 16
78 55 55
90 35 35
102 39 39
105 999 999
106 24 24
119 74 74
133 8 8
139 133 133
187 12 12
//
system version 2.2.6-SNAPSHOT