ACCESSION: MSBNK-Waters-WA000558
RECORD_TITLE: Doxylamine; 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$NAME: Doxylamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₂N₂O
CH$EXACT_MASS: 270.17321
CH$SMILES: CN(C)CCOC(C)(c(c2)cccc2)c(c1)nccc1
CH$IUPAC: InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3
CH$LINK: CAS 469-21-6
CH$LINK: INCHIKEY HCFDWZZGGLSKEP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1022970

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 11.130 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$SPLASH: splash10-001i-0900000000-7beb937d4a1c74034c27
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  167 247 247
  168 27 27
  182 999 999
  183 176 176
  184 8 8
  226 8 8
  271 12 12
//