MassBank Record: MSBNK-Waters-WA001925
ACCESSION: MSBNK-Waters-WA001925
RECORD_TITLE: Fenozolone; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Fenozolone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12N2O2
CH$EXACT_MASS: 204.08988
CH$SMILES: CCNC(=N2)OC(C(=O)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H12N2O2/c1-2-12-11-13-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,13,14)
CH$LINK: CAS
15302-16-6
CH$LINK: INCHIKEY
RXOIEVSUURELPG-UHFFFAOYSA-N
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 13.040 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0090200000-5dc47055904f154416ee
PK$ANNOTATION: m/z type
227 [M+Na]+
409 [2M+H]+
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
134 27 27
163 59 59
164 8 8
179 31 31
205 999 999
206 125 125
207 12 12
227 12 12
243 12 12
246 12 12
409 192 192
410 51 51
431 35 35
432 8 8
//
system version 2.2.6-SNAPSHOT