MassBank Record: MSBNK-Waters-WA000201
ACCESSION: MSBNK-Waters-WA000201
RECORD_TITLE: Cyclanilide; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Cyclanilide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H9Cl2NO3
CH$EXACT_MASS: 272.99595
CH$SMILES: OC(=O)C(C2)(C2)C(=O)Nc(c1)c(Cl)cc(Cl)c1
CH$IUPAC: InChI=1S/C11H9Cl2NO3/c12-6-1-2-8(7(13)5-6)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)
CH$LINK: CAS
113136-77-9
CH$LINK: INCHIKEY
GLWWLNJJJCTFMZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5032600
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 271.9
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03i0-0790000000-3e7ac54e667fd0e6adfb
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
158 8 8
160 999 999
192 47 47
226 8 8
228 999 999
229 8 8
270 8 8
272 196 196
//
system version 2.2.6-SNAPSHOT