MassBank Record: MSBNK-Waters-WA002505
ACCESSION: MSBNK-Waters-WA002505
RECORD_TITLE: Tolbutamide; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Tolbutamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18N2O3S
CH$EXACT_MASS: 270.10381
CH$SMILES: CCCCNC(=O)NS(=O)(=O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
CH$LINK: CAS
64-77-7
CH$LINK: INCHIKEY
JLRGJRBPOGGCBT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8021359
AC$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$CHROMATOGRAPHY: RETENTION_TIME 16.100 min
AC$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: splash10-00di-0190000000-7a2c68430d4fc81d24b2
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
113 20 20
117 82 82
131 12 12
155 12 12
172 63 63
240 16 16
271 999 999
272 125 125
273 47 47
277 20 20
288 35 35
293 133 133
294 12 12
295 12 12
309 90 90
310 16 16
311 12 12
//
system version 2.2.8-SNAPSHOT