MassBank Record: MSBNK-Waters-WA000157
ACCESSION: MSBNK-Waters-WA000157
RECORD_TITLE: Lactofen; LC-ESI-QQ; MS2; CE:10 V; [M+NH4]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Lactofen
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H15ClF3NO7
CH$EXACT_MASS: 461.04891
CH$SMILES: CCOC(=O)C(C)OC(=O)c(c1)c(N(=O)=O)ccc(Oc(c2)c(Cl)cc(c2)C(F)(F)F)1
CH$IUPAC: InChI=1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3
CH$LINK: CAS
77501-63-4
CH$LINK: INCHIKEY
CONWAEURSVPLRM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7024160
AC$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 10 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
MS$FOCUSED_ION: PRECURSOR_M/Z 479.24
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-002f-0008900000-be21588e2581f0fa6b53
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
344 999 999
345 27 27
416 43 43
462 384 384
463 16 16
479 642 642
480 39 39
//