ACCESSION: MSBNK-Waters-WA000935
RECORD_TITLE: Buflomedil; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-000m-0940000000-36c9fcaad1c819545ed4
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  105 8 8
  112 12 12
  114 8 8
  121 24 24
  123 12 12
  135 8 8
  136 8 8
  137 8 8
  140 576 576
  141 39 39
  147 8 8
  149 8 8
  151 27 27
  163 8 8
  165 20 20
  167 27 27
  168 12 12
  169 12 12
  177 51 51
  178 51 51
  179 24 24
  180 20 20
  181 255 255
  182 24 24
  189 8 8
  191 43 43
  192 8 8
  195 999 999
  196 74 74
  197 12 12
  204 31 31
  207 8 8
  209 43 43
  219 8 8
  221 24 24
  222 20 20
  237 991 991
  238 106 106
  239 12 12
  290 16 16
  308 12 12
//