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
//