ACCESSION: MSBNK-Waters-WA001552
RECORD_TITLE: Glafenine; 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$NAME: Glafenine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₇ClN₂O₄
CH$EXACT_MASS: 372.08768
CH$SMILES: OCC(O)COC(=O)c(c3)c(ccc3)Nc(c2)c(c1)c(nc2)cc(Cl)c1
CH$IUPAC: InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)
CH$LINK: CAS 3820-67-5
CH$LINK: INCHIKEY GWOFUCIGLDBNKM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1048546

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 12.130 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$SPLASH: splash10-0089-0089000000-8e18245699a0fcf2e16a
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  281 999 999
  282 168 168
  283 329 329
  284 51 51
  299 51 51
  300 8 8
  301 16 16
  322 8 8
  355 24 24
  357 8 8
  373 956 956
  374 196 196
  375 333 333
  376 71 71
  377 8 8
  399 8 8
//