MassBank Record: MSBNK-Waters-WA000244
ACCESSION: MSBNK-Waters-WA000244
RECORD_TITLE: Flumetsulam; LC-ESI-QQ; MS2; CE:60 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$NAME: Flumetsulam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H9F2N5O2S
CH$EXACT_MASS: 325.04450
CH$SMILES: CC(C=3)=Nc(n1)n(C3)nc1S(=O)(=O)Nc(c(F)2)c(F)ccc2
CH$IUPAC: InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3
CH$LINK: CAS
98967-40-9
CH$LINK: INCHIKEY
RXCPQSJAVKGONC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4032615
AC$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 60 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 326
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a6r-0900000000-814371bbce55788722f0
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
101 501 501
103 20 20
105 16 16
107 114 114
109 944 944
110 47 47
115 12 12
119 12 12
123 16 16
126 16 16
129 999 999
130 39 39
134 16 16
144 12 12
147 8 8
//