ACCESSION: MSBNK-Waters-WA001057
RECORD_TITLE: Meprobamate; LC-ESI-Q; MS; POS; 30 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 30 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0a4i-0920000000-20405904a03b382e7d35
PK$ANNOTATION: m/z type
  219 [M+H]+
  241 [M+Na]+
  257 [M+K]+
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  115 47 47
  158 999 999
  159 74 74
  176 8 8
  184 8 8
  219 74 74
  241 188 188
  242 12 12
  257 20 20
//