ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004083
RECORD_TITLE: 2,4-BIS(ISOPROPYLAMINO)-6-(METHYLTHIO)-S-TRIAZINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2,4-BIS(ISOPROPYLAMINO)-6-(METHYLTHIO)-S-TRIAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₉N₅S
CH$EXACT_MASS: 241.13612
CH$SMILES: CC(C)Nc(n1)nc(SC)nc(NC(C)C)1
CH$IUPAC: InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
CH$LINK: INCHIKEY AAEVYOVXGOFMJO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4024272

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-052f-9530000000-ac46b696f0af66ace6f9
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  15 5.1 51
  18 2.6 26
  27 19.1 191
  28 12.1 121
  30 2 20
  39 6.1 61
  40 1.8 18
  41 3 30
  42 2.63 26
  43 79.3 793
  44 22.2 222
  45 0.24 2
  46 1.5 15
  47 4.2 42
  53 1.7 17
  55 0.26 3
  56 3.4 34
  57 5.5 55
  58 99.99 999
  59 0.41 4
  67 2.4 24
  68 43.8 438
  69 39.5 395
  70 0.37 4
  74 17.8 178
  75 1.7 17
  83 13 130
  84 0.25 3
  85 11.3 113
  91 4.1 41
  93 4.9 49
  94 0.8 8
  95 3.5 35
  99 6.2 62
  100 3.2 32
  102 0.16 2
  105 44.1 441
  106 5.3 53
  108 2.3 23
  109 0.16 2
  110 8.4 84
  111 9.9 99
  112 1.9 19
  113 0.2 2
  116 6.6 66
  117 2.1 21
  125 2.1 21
  127 0.42 4
  136 3.1 31
  137 3.8 38
  141 3 30
  142 0.64 6
  143 1.5 15
  150 1.5 15
  151 1.5 15
  152 1.05 11
  153 3.4 34
  156 4 40
  157 13 130
  158 0.19 2
  166 3 30
  169 13.5 135
  170 2.2 22
  171 0.21 2
  184 69 690
  185 11.3 113
  186 3.8 38
  195 0.31 3
  198 5.7 57
  199 24.6 246
  200 3 30
  210 0.15 2
  226 51.8 518
  227 6.8 68
  228 2.8 28
  240 0.6 6
  241 75 750
  242 14 140
  243 4.4 44
//