ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003082
RECORD_TITLE: PYRATHIAZINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: PYRATHIAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₀N₂S
CH$EXACT_MASS: 296.13472
CH$SMILES: C(C4)CN(C4)CCN(c21)c(c3)c(ccc3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C18H20N2S/c1-3-9-17-15(7-1)20(14-13-19-11-5-6-12-19)16-8-2-4-10-18(16)21-17/h1-4,7-10H,5-6,11-14H2
CH$LINK: INCHIKEY KJKJUXGEMYCCJN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2046252

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-9000000000-490eea86037e07c69ce0
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  41 2.4 24
  42 6.1 61
  43 0.9 9
  55 0.34 3
  56 1.4 14
  82 2.4 24
  83 1.1 11
  84 99.99 999
  85 5.9 59
  96 0.9 9
  98 1.4 14
  99 0.11 1
  178 0.4 4
  179 0.9 9
  180 3.9 39
  181 0.01 0
  198 2.4 24
  199 1.4 14
  200 0.7 7
  212 0.31 3
  213 0.9 9
  296 7.1 71
  297 1.7 17
  298 0.6 6
//