ACCESSION: MSBNK-Waters-WA000445
RECORD_TITLE: Valpromide; 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$NAME: Valpromide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₇NO
CH$EXACT_MASS: 143.13101
CH$SMILES: CCCC(CCC)C(N)=O
CH$IUPAC: InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
CH$LINK: CAS 2430-27-5
CH$LINK: INCHIKEY OMOMUFTZPTXCHP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1023734

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 14.060 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$SPLASH: splash10-0006-1900000000-f3347e32b9d122df447e
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  81 39 39
  82 16 16
  83 47 47
  84 47 47
  85 24 24
  86 12 12
  88 78 78
  98 35 35
  99 16 16
  102 35 35
  109 55 55
  116 204 204
  126 118 118
  127 20 20
  144 999 999
  145 90 90
  185 47 47
//