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MassBank Record: WA002684

Naphazoline; LC-ESI-Q; MS; POS; 60 V

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

ACCESSION: WA002684
RECORD_TITLE: Naphazoline; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Naphazoline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H14N2
CH$EXACT_MASS: 210.11570
CH$SMILES: C(C3)NC(=N3)Cc(c1)c(c2)c(ccc2)cc1
CH$IUPAC: InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
CH$LINK: CAS 835-31-4
CH$LINK: INCHIKEY CNIIGCLFLJGOGP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3048449

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 11.080 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

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

PK$SPLASH: splash10-03dl-0890000000-610549c84e388c2a6cb4
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  115 12 12
  141 870 870
  142 94 94
  153 27 27
  165 12 12
  166 27 27
  167 31 31
  168 55 55
  182 12 12
  209 12 12
  211 999 999
  212 161 161
//

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