MassBank Record: MSBNK-Waters-WA000342
ACCESSION: MSBNK-Waters-WA000342
RECORD_TITLE: Phenindione; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Phenindione
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H10O2
CH$EXACT_MASS: 222.06808
CH$SMILES: c(c3)ccc(c3)C(C(=O)1)C(=O)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
CH$LINK: CAS
83-12-5
CH$LINK: INCHIKEY
NFBAXHOPROOJAW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5023453
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 16.140 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a6r-0890000000-ebc103a4e6e77b920168
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
102 8 8
104 27 27
112 20 20
114 27 27
118 8 8
128 8 8
130 8 8
141 47 47
145 27 27
151 67 67
152 20 20
153 8 8
158 20 20
165 27 27
166 12 12
167 35 35
170 12 12
176 176 176
177 454 454
178 55 55
179 35 35
181 16 16
182 12 12
194 51 51
195 180 180
196 27 27
205 999 999
206 184 184
207 8 8
217 8 8
218 8 8
223 149 149
224 24 24
229 8 8
241 8 8
242 8 8
//