ACCESSION: MSBNK-Waters-WA000936
RECORD_TITLE: Buflomedil; 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$NAME: Buflomedil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₅NO₄
CH$EXACT_MASS: 307.17836
CH$SMILES: COc(c1)cc(OC)c(C(=O)CCCN(C2)CCC2)c(OC)1
CH$IUPAC: InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3
CH$LINK: CAS 55837-25-7
CH$LINK: INCHIKEY OWYLAEYXIQKAOL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5022697

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 11.670 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$SPLASH: splash10-000f-0960000000-d81cb509eafbf45c542e
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  140 999 999
  141 67 67
  177 8 8
  181 16 16
  195 55 55
  209 8 8
  221 12 12
  237 662 662
  238 74 74
  239 8 8
  290 20 20
  308 102 102
  309 16 16
//