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MassBank Record: WA000518

Fonazine; LC-ESI-Q; MS; POS; 45 V

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

ACCESSION: WA000518
RECORD_TITLE: Fonazine; 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$NAME: Fonazine
CH$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 45 V

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

PK$SPLASH: splash10-052f-0019100000-ef19c7634efb0bfd4d95
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  198 12 12
  214 12 12
  238 341 341
  239 149 149
  240 39 39
  241 12 12
  242 12 12
  262 43 43
  276 12 12
  305 815 815
  306 153 153
  307 78 78
  308 20 20
  319 31 31
  347 243 243
  348 31 31
  349 20 20
  363 74 74
  364 12 12
  392 999 999
  393 215 215
  394 106 106
  395 20 20
  408 349 349
  409 74 74
  410 24 24
  424 59 59
  425 16 16
//

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