MassBank Record: MSBNK-Waters-WA000508
ACCESSION: MSBNK-Waters-WA000508
RECORD_TITLE: Fenspiride; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Fenspiride
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H20N2O2
CH$EXACT_MASS: 260.15248
CH$SMILES: O=C(N3)OC(C3)(C1)CCN(CCc(c2)cccc2)C1
CH$IUPAC: InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)
CH$LINK: CAS
5053-06-5
CH$LINK: INCHIKEY
FVNFBBAOMBJTST-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4023048
AC$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$CHROMATOGRAPHY: RETENTION_TIME 10.380 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0bt9-0970000000-4f33dc474906a2bb94d4
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
105 999 999
106 78 78
128 16 16
134 39 39
139 16 16
146 43 43
157 16 16
169 63 63
200 20 20
232 16 16
261 823 823
262 137 137
263 12 12
//
system version 2.2.6-SNAPSHOT