ACCESSION: MSBNK-Waters-WA000934
RECORD_TITLE: Buflomedil; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-0002-0900000000-29febc2b51d88097f515
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  103 12 12
  105 39 39
  107 12 12
  108 27 27
  109 31 31
  110 8 8
  112 8 8
  115 8 8
  117 8 8
  118 8 8
  119 16 16
  121 106 106
  122 16 16
  123 43 43
  124 8 8
  125 8 8
  131 8 8
  133 12 12
  135 35 35
  136 47 47
  137 59 59
  138 8 8
  139 59 59
  140 55 55
  146 12 12
  147 20 20
  148 8 8
  149 20 20
  150 20 20
  151 67 67
  152 98 98
  153 12 12
  155 12 12
  161 16 16
  162 12 12
  163 35 35
  164 8 8
  165 47 47
  167 24 24
  168 16 16
  169 12 12
  175 12 12
  176 8 8
  177 43 43
  178 59 59
  179 24 24
  180 157 157
  181 200 200
  182 16 16
  189 31 31
  191 110 110
  192 16 16
  195 999 999
  196 82 82
  197 12 12
  198 8 8
  204 43 43
  205 8 8
  207 8 8
  209 12 12
  222 8 8
  237 153 153
  238 16 16
//