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MassBank Record: WA001540

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

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

ACCESSION: WA001540
RECORD_TITLE: Glibornuride; 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$NAME: Glibornuride
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H26N2O4S
CH$EXACT_MASS: 366.16133
CH$SMILES: Cc(c3)ccc(c3)S(=O)(=O)NC(=O)NC(C(O)1)C(C2)C(C)(C)C(C)(C2)1
CH$IUPAC: InChI=1S/C18H26N2O4S/c1-11-5-7-12(8-6-11)25(23,24)20-16(22)19-14-13-9-10-18(4,15(14)21)17(13,2)3/h5-8,13-15,21H,9-10H2,1-4H3,(H2,19,20,22)
CH$LINK: CAS 26944-48-9
CH$LINK: INCHIKEY RMTYNAPTNBJHQI-UHFFFAOYSA-N

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 17.620 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$SPLASH: splash10-014i-0509100000-51656763622d29d57022
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  109 39 39
  122 43 43
  135 106 106
  136 8 8
  152 153 153
  153 16 16
  168 20 20
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  171 27 27
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  196 118 118
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  253 24 24
  349 129 129
  350 24 24
  351 8 8
  367 999 999
  368 184 184
  369 82 82
  370 8 8
  389 98 98
  390 16 16
  391 8 8
  405 149 149
  406 27 27
  407 20 20
//

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