MassBank Record: MSBNK-Waters-WA000341
ACCESSION: MSBNK-Waters-WA000341
RECORD_TITLE: Phenindione; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Phenindione
CH$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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-0910000000-4e9b1504640a7ef68e5d
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
101 8 8
102 8 8
104 24 24
105 35 35
106 8 8
109 8 8
117 24 24
119 20 20
120 27 27
123 27 27
128 8 8
132 8 8
135 8 8
137 8 8
142 8 8
145 16 16
151 306 306
152 129 129
153 12 12
157 8 8
163 8 8
165 102 102
166 24 24
167 27 27
176 999 999
177 690 690
178 153 153
179 35 35
185 12 12
194 90 90
195 43 43
203 8 8
205 435 435
206 74 74
223 12 12
//