MassBank Record: MSBNK-Waters-WA001056
ACCESSION: MSBNK-Waters-WA001056
RECORD_TITLE: Meprobamate; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Meprobamate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18N2O4
CH$EXACT_MASS: 218.12666
CH$SMILES: CCCC(C)(COC(N)=O)COC(N)=O
CH$IUPAC: InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
CH$LINK: CAS
57-53-4
CH$LINK: INCHIKEY
NPPQSCRMBWNHMW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3023261
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.950 min
AC$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: splash10-0a4l-0960000000-c84e87b73b107e5dd8b1
PK$ANNOTATION: m/z type
219 [M+H]+
241 [M+Na]+
257 [M+K]+
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
115 255 255
116 8 8
127 20 20
156 12 12
158 999 999
159 63 63
180 12 12
184 188 188
185 20 20
217 12 12
219 20 20
241 885 885
242 71 71
243 8 8
257 78 78
258 8 8
259 12 12
282 24 24
303 8 8
309 12 12
321 8 8
325 8 8
389 12 12
432 8 8
459 51 51
460 8 8
475 12 12
//