ACCESSION: MSBNK-Waters-WA000443
RECORD_TITLE: Valpromide; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-001i-9200000000-6cc109d0008114df40c3
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  79 125 125
  80 204 204
  81 110 110
  82 999 999
  84 94 94
  85 16 16
  86 35 35
  88 114 114
  91 24 24
  94 27 27
  96 133 133
  98 102 102
  100 172 172
  102 16 16
  109 12 12
  111 24 24
  113 90 90
  116 24 24
  123 16 16
  142 110 110
  144 43 43
  145 12 12
  146 12 12
  184 27 27
  208 12 12
  242 12 12
//