MassBank Record: MSBNK-Waters-WA000259
ACCESSION: MSBNK-Waters-WA000259
RECORD_TITLE: Florasulam; LC-ESI-QQ; MS2; CE:70 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 70 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: splash10-057i-8900000000-7f871cedcb894060aa6f
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
51 24 24
52 67 67
57 47 47
59 12 12
62 407 407
64 16 16
65 8 8
67 20 20
70 16 16
72 35 35
75 43 43
77 51 51
80 63 63
82 972 972
83 24 24
85 16 16
87 12 12
89 404 404
90 16 16
95 16 16
97 31 31
98 12 12
100 78 78
101 353 353
103 16 16
107 43 43
109 881 881
110 35 35
111 16 16
113 8 8
116 8 8
120 16 16
122 12 12
125 8 8
127 12 12
129 999 999
130 24 24
138 8 8
143 12 12
165 20 20
//