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MassBank Record: WA000519

Fonazine; LC-ESI-Q; MS; POS; 30 V

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

ACCESSION: WA000519
RECORD_TITLE: Fonazine; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Fonazine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H25N3O2S2
CH$EXACT_MASS: 391.13882
CH$SMILES: CN(C)C(C)CN(c21)c(c3)c(ccc3S(=O)(=O)N(C)C)Sc(cccc2)1
CH$IUPAC: InChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3
CH$LINK: CAS 7456-24-8
CH$LINK: INCHIKEY VWNWVCJGUMZDIU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6023076

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 14.260 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 30 V

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

PK$SPLASH: splash10-0006-0009000000-45a9bd443349a06c544f
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  305 24 24
  347 27 27
  392 999 999
  393 239 239
  394 125 125
  395 27 27
  408 82 82
  409 16 16
  410 12 12
  424 27 27
//

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