MassBank Record: MSBNK-Waters-WA002598
ACCESSION: MSBNK-Waters-WA002598
RECORD_TITLE: Fluindione; LC-ESI-Q; MS; NEG; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Fluindione
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H9FO2
CH$EXACT_MASS: 240.05866
CH$SMILES: Fc(c3)ccc(c3)C(C(=O)1)C(=O)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
CH$LINK: CAS
957-56-2
CH$LINK: INCHIKEY
NASXCEITKQITLD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1046211
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 17.000 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0390000000-e1f658fe7242942aa54f
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
101 27 27
119 16 16
125 12 12
135 55 55
145 137 137
146 12 12
163 47 47
169 102 102
170 12 12
175 12 12
183 86 86
184 12 12
191 59 59
211 215 215
212 35 35
219 39 39
239 999 999
240 168 168
241 16 16
//