ACCESSION: MSBNK-Waters-WA000933
RECORD_TITLE: Buflomedil; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Buflomedil
CH$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 90 V

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

PK$SPLASH: splash10-0f72-0900000000-ce3fa111eec6f537f79c
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  103 118 118
  104 12 12
  105 184 184
  106 20 20
  107 165 165
  108 114 114
  109 251 251
  110 35 35
  111 27 27
  112 8 8
  115 71 71
  116 20 20
  117 35 35
  118 82 82
  119 82 82
  120 31 31
  121 372 372
  122 114 114
  123 125 125
  124 55 55
  125 43 43
  126 8 8
  128 12 12
  129 16 16
  131 51 51
  132 16 16
  133 86 86
  134 20 20
  135 165 165
  136 141 141
  137 705 705
  138 67 67
  139 176 176
  140 16 16
  144 12 12
  145 27 27
  146 67 67
  147 94 94
  148 43 43
  149 63 63
  150 78 78
  151 219 219
  152 658 658
  153 59 59
  154 8 8
  155 121 121
  156 8 8
  159 16 16
  160 8 8
  161 94 94
  162 31 31
  163 129 129
  164 20 20
  165 106 106
  166 16 16
  167 27 27
  168 16 16
  169 16 16
  173 8 8
  174 12 12
  175 31 31
  176 71 71
  177 114 114
  178 59 59
  179 31 31
  180 486 486
  181 176 176
  182 16 16
  189 121 121
  190 8 8
  191 298 298
  192 43 43
  193 16 16
  195 999 999
  196 78 78
  197 12 12
  198 20 20
  203 12 12
  204 43 43
  205 8 8
  207 12 12
  237 24 24
  308 8 8
//