ACCESSION: MSBNK-Waters-WA001538
RECORD_TITLE: Glibornuride; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0kg9-0902100000-5acb4321cf8969f52ff2
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  100 20 20
  101 8 8
  104 16 16
  107 282 282
  109 341 341
  110 31 31
  119 39 39
  122 114 114
  123 106 106
  124 16 16
  125 8 8
  132 8 8
  135 772 772
  136 74 74
  139 12 12
  140 8 8
  152 999 999
  153 102 102
  155 86 86
  168 27 27
  170 850 850
  171 82 82
  172 12 12
  176 27 27
  178 12 12
  184 31 31
  185 8 8
  192 349 349
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  195 8 8
  196 157 157
  197 20 20
  208 98 98
  209 8 8
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  211 8 8
  215 27 27
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  220 27 27
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  236 31 31
  249 12 12
  250 12 12
  253 67 67
  255 8 8
  261 8 8
  349 137 137
  350 24 24
  351 8 8
  367 568 568
  368 110 110
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  389 474 474
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  405 415 415
  406 67 67
  407 63 63
  408 8 8
  411 24 24
  412 8 8
  427 43 43
  428 8 8
  430 12 12
  443 20 20
//