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MassBank Record: WA000560

Doxylamine; LC-ESI-Q; MS; POS; 15 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000560
RECORD_TITLE: Doxylamine; LC-ESI-Q; MS; POS; 15 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 15 V

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

PK$SPLASH: splash10-00di-0090000000-da2976d1c39054914999
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  182 63 63
  183 8 8
  271 999 999
  272 153 153
  273 12 12
//

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