ACCESSION: MSBNK-Waters-WA001543
RECORD_TITLE: Glyburide; 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$NAME: Glyburide
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-014i-0901000000-aa8e5a5da5557677dc21
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  100 12 12
  103 63 63
  104 8 8
  105 39 39
  107 27 27
  111 12 12
  113 12 12
  119 16 16
  120 8 8
  121 12 12
  122 12 12
  126 8 8
  131 20 20
  134 27 27
  135 20 20
  139 8 8
  141 8 8
  144 8 8
  150 8 8
  151 20 20
  167 16 16
  168 8 8
  169 999 999
  170 63 63
  171 333 333
  172 24 24
  192 8 8
  198 24 24
  200 8 8
  208 8 8
  209 8 8
  210 20 20
  245 8 8
  259 47 47
  260 8 8
  261 20 20
  262 16 16
  288 20 20
  290 8 8
  304 71 71
  305 12 12
  306 24 24
  352 8 8
  369 106 106
  370 20 20
  371 47 47
  372 8 8
  391 31 31
  393 8 8
  395 8 8
  417 16 16
  419 8 8
  494 8 8
  516 43 43
  517 8 8
  518 20 20
  532 24 24
  533 8 8
  534 12 12
//