ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003816
RECORD_TITLE: METHDILAZINE; 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$NAME: METHDILAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₀N₂S
CH$EXACT_MASS: 296.13472
CH$SMILES: CN(C4)CC(C4)CN(c21)c(c3)c(ccc3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3
CH$LINK: INCHIKEY HTMIBDQKFHUPSX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6023282

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-9310000000-08a0f77b83bac7e129ee
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  55 94 940
  56 8.9 89
  57 14.9 149
  58 0.49 5
  70 19.9 199
  77 6.9 69
  82 44.9 449
  83 2.09 21
  84 14.9 149
  89 1.9 19
  96 2.9 29
  97 99.99 999
  98 95 950
  99 6.9 69
  108 3.9 39
  109 0.49 5
  127 5.9 59
  128 3.9 39
  139 4.9 49
  140 0.39 4
  151 2.9 29
  152 6.9 69
  153 4.9 49
  154 0.89 9
  155 1.9 19
  166 5.9 59
  167 4.9 49
  168 0.39 4
  179 6.9 69
  180 31.9 319
  181 5.9 59
  182 0.09 1
  184 3.9 39
  196 2.9 29
  197 4.9 49
  198 3.39 34
  199 36.9 369
  200 6.9 69
  212 27.9 279
  213 1.24 12
  214 3.9 39
  238 4.9 49
  239 1.9 19
  252 0.24 2
  296 31.9 319
  297 7.9 79
  298 2.9 29
//