ACCESSION: MSBNK-Waters-WA001770
RECORD_TITLE: Butamben; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Butamben
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₅NO₂
CH$EXACT_MASS: 193.11028
CH$SMILES: CCCCOC(=O)c(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3
CH$LINK: CAS 94-25-7
CH$LINK: INCHIKEY IUWVALYLNVXWKX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022417

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 17.320 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$SPLASH: splash10-0079-0900000000-ac8070bf11ddf4c8b995
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  108 24 24
  109 16 16
  118 27 27
  120 607 607
  138 999 999
  139 67 67
  149 27 27
  179 16 16
  194 200 200
  195 16 16
//