ACCESSION: MSBNK-Waters-WA000799
RECORD_TITLE: Glimepiride; 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$NAME: Glimepiride
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₃₄N₄O₅S
CH$EXACT_MASS: 490.22499
CH$SMILES: CC(C3)CCC(C3)NC(=O)NS(=O)(=O)c(c1)ccc(CCNC(=O)N(C2)C(=O)C(CC)=C(C)2)c1
CH$IUPAC: InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19-
CH$LINK: CAS 93479-97-1
CH$LINK: INCHIKEY WIGIZIANZCJQQY-RUCARUNLSA-N
CH$LINK: COMPTOX DTXSID5040675

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 18.500 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$SPLASH: splash10-004i-0900000000-ce609a56e38cb04bc551
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  103 55 55
  104 8 8
  106 8 8
  108 47 47
  109 125 125
  110 12 12
  114 8 8
  117 8 8
  118 39 39
  119 8 8
  121 20 20
  124 63 63
  126 999 999
  127 59 59
  131 27 27
  138 12 12
  144 31 31
  151 8 8
  152 106 106
  153 8 8
  167 63 63
  170 47 47
  174 12 12
  179 8 8
  181 82 82
  193 12 12
  210 20 20
  335 35 35
  352 114 114
  353 16 16
  374 20 20
  400 8 8
  491 59 59
  492 16 16
  513 55 55
  514 12 12
  529 55 55
  530 12 12
  531 8 8
//