MassBank Record: MSBNK-Waters-WA000072
ACCESSION: MSBNK-Waters-WA000072
RECORD_TITLE: Cyflufenamide; LC-ESI-QQ; MS2; CE:50 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$NAME: Cyflufenamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H17F5N2O2
CH$EXACT_MASS: 412.12102
CH$SMILES: c(c3)ccc(c3)CC(=O)NC(=NOCC(C2)C2)c(c(F)1)c(ccc(F)1)C(F)(F)F
CH$IUPAC: InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)
CH$LINK: CAS
180409-60-3
CH$LINK: INCHIKEY
ACMXQHFNODYQAT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30431727
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 413.24
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0ue9-0960000000-a3f6d8be661a49928042
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
105 8 8
112 8 8
126 121 121
131 51 51
132 12 12
138 239 239
145 8 8
148 8 8
153 118 118
156 67 67
158 24 24
161 12 12
162 59 59
164 12 12
166 20 20
176 161 161
181 125 125
183 592 592
185 63 63
188 31 31
201 47 47
203 999 999
204 51 51
208 8 8
221 102 102
241 12 12
//