ACCESSION: MSBNK-Waters-WA002480
RECORD_TITLE: Salmeterol; 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$NAME: Salmeterol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₃₇NO₄
CH$EXACT_MASS: 415.27226
CH$SMILES: C(CCCCNCC(O)c(c2)cc(CO)c(O)c2)COCCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
CH$LINK: CAS 89365-50-4
CH$LINK: INCHIKEY GIIZNNXWQWCKIB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6023571

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 15.150 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$SPLASH: splash10-001i-0920000000-22ac143f4cd3628651ae
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
  100 27 27
  103 47 47
  105 451 451
  106 35 35
  107 133 133
  108 12 12
  110 110 110
  111 12 12
  112 78 78
  114 16 16
  115 43 43
  116 12 12
  117 106 106
  118 27 27
  119 94 94
  120 51 51
  121 529 529
  122 39 39
  123 12 12
  124 16 16
  128 20 20
  129 47 47
  130 98 98
  131 427 427
  132 39 39
  133 999 999
  134 67 67
  135 811 811
  136 74 74
  137 16 16
  143 27 27
  144 16 16
  145 247 247
  146 78 78
  147 270 270
  148 568 568
  149 192 192
  150 227 227
  151 74 74
  157 24 24
  158 16 16
  159 74 74
  160 192 192
  161 59 59
  162 231 231
  163 35 35
  164 94 94
  165 12 12
  171 51 51
  172 20 20
  173 35 35
  174 43 43
  175 16 16
  176 16 16
  185 16 16
  186 16 16
  187 16 16
  188 31 31
  189 12 12
  200 12 12
  201 27 27
  202 39 39
  204 16 16
  209 12 12
  212 12 12
  213 16 16
  214 12 12
  217 71 71
  218 31 31
  219 12 12
  221 12 12
  228 16 16
  230 564 564
  231 71 71
  232 662 662
  233 94 94
  235 16 16
  247 20 20
  248 231 231
  249 39 39
  250 12 12
  380 290 290
  381 67 67
  398 98 98
  399 20 20
  416 208 208
  417 47 47
  438 71 71
  439 16 16
  454 31 31
//