ACCESSION: MSBNK-Waters-WA001768
RECORD_TITLE: Butamben; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
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$SMILES: CCCCOC(=O)c(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3
CH$LINK: CAS 94-25-7
CH$LINK: INCHIKEY HUIYGGQINIVDNW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5024683

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 75 V, 90 V

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

PK$SPLASH: splash10-00y0-0900000000-b9ada5c05a5be60f56bc
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  104 8 8
  107 20 20
  108 16 16
  109 43 43
  110 16 16
  113 39 39
  118 525 525
  120 999 999
  133 27 27
  134 12 12
  138 713 713
  139 27 27
  140 35 35
  143 8 8
  146 12 12
  148 8 8
  149 74 74
  151 16 16
  155 12 12
  158 8 8
  159 12 12
  162 51 51
  166 20 20
  170 8 8
  171 35 35
  177 35 35
  179 12 12
  184 8 8
  189 8 8
  196 20 20
  198 12 12
  199 12 12
  202 8 8
  206 24 24
  208 12 12
  211 31 31
  215 27 27
  224 12 12
//