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MassBank Record: WA000517

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

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

ACCESSION: WA000517
RECORD_TITLE: Fonazine; 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$NAME: Fonazine
CH$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 60 V

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

PK$SPLASH: splash10-0bti-0289000000-b10f924f044bfdcf66b8
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  198 407 407
  199 55 55
  200 16 16
  205 39 39
  206 16 16
  211 16 16
  214 396 396
  215 55 55
  216 16 16
  223 51 51
  224 31 31
  238 388 388
  239 270 270
  240 51 51
  262 278 278
  263 31 31
  264 20 20
  276 31 31
  305 999 999
  306 165 165
  307 98 98
  308 12 12
  319 55 55
  320 16 16
  346 63 63
  347 200 200
  348 35 35
  349 16 16
  363 51 51
  364 12 12
  392 141 141
  393 24 24
  394 12 12
  408 129 129
  409 20 20
  410 12 12
  424 16 16
//

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