ACCESSION: MSBNK-Waters-WA002682
RECORD_TITLE: Naphazoline; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Naphazoline
CH$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 90 V

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

PK$SPLASH: splash10-014l-0900000000-b73490b378d5fd99d70a
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  115 999 999
  116 94 94
  128 35 35
  129 12 12
  139 24 24
  140 12 12
  141 619 619
  142 74 74
  152 27 27
  153 20 20
  166 31 31
  167 27 27
  168 12 12
  211 12 12
//