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MassBank Record: WA001546

Glyburide; LC-ESI-Q; MS; POS; 30 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA001546
RECORD_TITLE: Glyburide; LC-ESI-Q; MS; POS; 30 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 30 V

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

PK$SPLASH: splash10-01bc-0009510000-b517bea685d2f9ff07d6
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  100 71 71
  116 8 8
  122 24 24
  143 12 12
  169 16 16
  335 8 8
  351 8 8
  369 999 999
  370 165 165
  371 400 400
  372 63 63
  373 20 20
  392 16 16
  395 55 55
  396 8 8
  397 20 20
  420 8 8
  451 8 8
  458 8 8
  460 8 8
  476 8 8
  494 639 639
  495 114 114
  496 278 278
  497 55 55
  498 20 20
  500 8 8
  511 16 16
  513 8 8
  516 102 102
  517 24 24
  518 43 43
  519 8 8
  532 90 90
  533 20 20
  534 39 39
  535 8 8
  536 8 8
//

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