ACCESSION: MSBNK-Waters-WA001539
RECORD_TITLE: Glibornuride; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-0gi9-0904100000-4fcdf6c6f7c43be6565e
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  101 20 20
  104 8 8
  107 67 67
  109 208 208
  110 16 16
  122 114 114
  123 55 55
  135 615 615
  136 43 43
  139 12 12
  140 8 8
  152 764 764
  153 78 78
  155 24 24
  168 35 35
  170 999 999
  171 98 98
  172 16 16
  178 16 16
  184 12 12
  192 176 176
  193 12 12
  196 266 266
  197 20 20
  208 55 55
  210 8 8
  211 8 8
  213 8 8
  215 43 43
  220 20 20
  227 24 24
  229 8 8
  233 12 12
  236 16 16
  250 8 8
  253 94 94
  254 8 8
  255 12 12
  266 12 12
  349 196 196
  350 31 31
  351 16 16
  367 964 964
  368 192 192
  369 59 59
  370 12 12
  373 16 16
  383 8 8
  384 8 8
  389 325 325
  390 55 55
  391 24 24
  405 360 360
  406 63 63
  407 59 59
  408 12 12
  411 8 8
  427 16 16
  430 12 12
  443 8 8
//