ACCESSION: MSBNK-Waters-WA001537
RECORD_TITLE: Glibornuride; 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$NAME: Glibornuride
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-0pic-0902100000-506e480dfc245b70decc
PK$NUM_PEAK: 95
PK$PEAK: m/z int. rel.int.
  100 16 16
  104 12 12
  105 74 74
  107 654 654
  108 27 27
  109 584 584
  110 47 47
  111 16 16
  117 8 8
  119 137 137
  120 16 16
  121 12 12
  122 149 149
  123 168 168
  124 27 27
  125 12 12
  132 55 55
  133 16 16
  135 838 838
  136 71 71
  137 12 12
  139 12 12
  147 8 8
  150 8 8
  152 999 999
  153 90 90
  155 102 102
  156 8 8
  168 27 27
  170 819 819
  171 71 71
  172 12 12
  176 90 90
  177 8 8
  178 16 16
  184 67 67
  192 944 944
  193 78 78
  196 149 149
  197 12 12
  206 8 8
  208 161 161
  209 12 12
  210 43 43
  211 8 8
  215 24 24
  216 8 8
  217 27 27
  220 86 86
  222 8 8
  227 12 12
  232 8 8
  233 67 67
  234 8 8
  236 51 51
  237 12 12
  238 8 8
  248 12 12
  249 24 24
  250 27 27
  251 12 12
  253 51 51
  254 8 8
  257 8 8
  261 8 8
  266 16 16
  349 106 106
  350 20 20
  351 8 8
  367 494 494
  368 90 90
  369 31 31
  370 8 8
  373 55 55
  374 8 8
  379 8 8
  383 16 16
  384 8 8
  389 674 674
  390 125 125
  391 39 39
  392 8 8
  395 8 8
  405 541 541
  406 86 86
  407 74 74
  408 12 12
  411 51 51
  412 16 16
  414 8 8
  427 98 98
  428 24 24
  429 24 24
  430 27 27
  431 8 8
//