MassBank Record: MSBNK-Waters-WA001588
ACCESSION: MSBNK-Waters-WA001588
RECORD_TITLE: Carisoprodol; 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$NAME: Carisoprodol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24N2O4
CH$EXACT_MASS: 260.17361
CH$SMILES: CCCC(C)(COC(N)=O)COC(=O)NC(C)C
CH$IUPAC: InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
CH$LINK: CAS
78-44-4
CH$LINK: INCHIKEY
OFZCIYFFPZCNJE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8024733
AC$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$CHROMATOGRAPHY: RETENTION_TIME 15.620 min
AC$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: splash10-0uyi-0960000000-b80180c95c7ccfcd7073
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
104 944 944
105 20 20
115 717 717
116 31 31
122 16 16
133 16 16
145 8 8
156 8 8
158 501 501
159 35 35
161 8 8
176 458 458
177 31 31
200 564 564
201 55 55
222 8 8
261 20 20
266 8 8
267 121 121
268 8 8
283 999 999
284 114 114
285 16 16
299 129 129
300 20 20
301 16 16
302 8 8
324 16 16
//