ACCESSION: MSBNK-Waters-WA002962
RECORD_TITLE: Modafinil; LC-ESI-Q; MS; POS; 60 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$NAME: Modafinil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₅NO₂S
CH$EXACT_MASS: 273.08235
CH$SMILES: NC(=O)CS(=O)C(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
CH$LINK: CAS 68693-11-8
CH$LINK: INCHIKEY YFGHCGITMMYXAQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023329

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 13.970 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, 90 V

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

PK$SPLASH: splash10-0gb9-0900000000-ee9949eaafb9bf30c510
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  102 8 8
  115 110 110
  116 12 12
  128 125 125
  129 27 27
  139 16 16
  141 51 51
  150 8 8
  151 20 20
  152 674 674
  153 78 78
  163 8 8
  164 51 51
  165 999 999
  166 200 200
  167 39 39
  169 12 12
  192 12 12
  296 20 20
  312 8 8
//