ACCESSION: MSBNK-Waters-WA002367
RECORD_TITLE: Phenprobamate; 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$NAME: Phenprobamate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₃NO₂
CH$EXACT_MASS: 179.09463
CH$SMILES: NC(=O)OCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)
CH$LINK: CAS 673-31-4
CH$LINK: INCHIKEY CAMYKONBWHRPDD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2046464

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 15.600 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$SPLASH: splash10-0006-9100000000-3955ffdbae3c9852fe1e
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  79 12 12
  81 20 20
  87 12 12
  89 59 59
  91 999 999
  92 67 67
  121 24 24
  133 55 55
  149 35 35
  165 12 12
  177 16 16
//