ACCESSION: MSBNK-Waters-WA001545
RECORD_TITLE: Glyburide; 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$NAME: Glyburide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₂₈ClN₃O₅S
CH$EXACT_MASS: 493.14382
CH$SMILES: COc(c3)c(cc(Cl)c3)C(=O)NCCc(c2)ccc(c2)S(=O)(=O)NC(=O)NC(C1)CCCC1
CH$IUPAC: InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)
CH$LINK: CAS 10238-21-8
CH$LINK: INCHIKEY ZNNLBTZKUZBEKO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0037237

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 18.290 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$SPLASH: splash10-014i-0209110000-af957999bdbf7060665f
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  100 59 59
  106 12 12
  122 39 39
  151 8 8
  169 345 345
  170 20 20
  171 118 118
  172 8 8
  186 8 8
  288 16 16
  304 51 51
  305 8 8
  306 20 20
  335 8 8
  351 8 8
  352 31 31
  354 12 12
  361 8 8
  369 999 999
  370 157 157
  371 411 411
  372 67 67
  373 24 24
  391 12 12
  392 12 12
  393 8 8
  395 63 63
  396 8 8
  397 27 27
  417 8 8
  420 8 8
  494 200 200
  495 31 31
  496 86 86
  497 16 16
  498 8 8
  500 8 8
  516 125 125
  517 24 24
  518 51 51
  519 8 8
  532 82 82
  533 16 16
  534 43 43
  535 8 8
//