ACCESSION: MSBNK-Waters-WA001542
RECORD_TITLE: Glibornuride; LC-ESI-Q; MS; NEG; 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 NEGATIVE
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$SPLASH: splash10-01b9-0509000000-b3c934a22074190b29a4
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  136 8 8
  170 678 678
  171 90 90
  172 35 35
  194 12 12
  198 8 8
  200 8 8
  223 8 8
  226 12 12
  237 8 8
  317 12 12
  365 999 999
  366 184 184
  367 67 67
  368 12 12
  401 16 16
  403 12 12
  433 12 12
//