MassBank Record: MSBNK-Waters-WA000256
ACCESSION: MSBNK-Waters-WA000256
RECORD_TITLE: Florasulam; 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$NAME: Florasulam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H8F3N5O3S
CH$EXACT_MASS: 359.02999
CH$SMILES: COC(=N3)n(n1)c(C(F)=C3)nc1S(=O)(=O)Nc(c(F)2)c(F)ccc2
CH$IUPAC: InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3
CH$LINK: CAS
145701-23-1
CH$LINK: INCHIKEY
QZXATCCPQKOEIH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7044340
AC$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 360
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-0900000000-3c0f533970a411ccec0d
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
82 16 16
88 8 8
101 16 16
107 8 8
108 63 63
129 999 999
130 16 16
144 24 24
168 8 8
//