ACCESSION: MSBNK-Waters-WA000516
RECORD_TITLE: Fonazine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Fonazine
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-01ot-0592000000-f4153683f2f2e81c769b
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  154 39 39
  186 43 43
  197 43 43
  198 999 999
  199 137 137
  200 47 47
  204 39 39
  205 71 71
  206 35 35
  207 12 12
  210 12 12
  211 43 43
  212 16 16
  214 717 717
  215 98 98
  216 35 35
  223 137 137
  224 133 133
  225 24 24
  226 12 12
  237 47 47
  238 153 153
  239 215 215
  240 43 43
  262 145 145
  263 16 16
  264 16 16
  276 12 12
  287 16 16
  305 235 235
  306 63 63
  307 24 24
  315 12 12
  319 27 27
  346 39 39
  347 47 47
  348 12 12
  392 55 55
  393 12 12
  408 12 12
//