ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011199
RECORD_TITLE: 1,3-DIMETHYL-2H-PYRIMIDO(1,2-A)(1,3,5)TRIAZINE-2,4,8-(1H,3H)-TRIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SAWADA M, THE INST. OF SCIENTIFIC AND INDUSTRIALRESEARCH OSAKA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1,3-DIMETHYL-2H-PYRIMIDO(1,2-A)(1,3,5)TRIAZINE-2,4,8-(1H,3H)-TRIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈N₄O₃
CH$EXACT_MASS: 208.05964
CH$SMILES: [H]C(C(=O)2)=C([H])N(C(=O)1)C(=N2)N(C)C(=O)N(C)1
CH$IUPAC: InChI=1S/C8H8N4O3/c1-10-6-9-5(13)3-4-12(6)8(15)11(2)7(10)14/h3-4H,1-2H3
CH$LINK: INCHIKEY HCPJFABTTFNIRP-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0pbc-9630000000-752e5aef0f02acdc22bf
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
  34 1.2 12
  38 1 10
  39 6.1 61
  40 33.6 336
  41 11.4 114
  42 11.7 117
  43 18 180
  44 56.5 565
  45 2.7 27
  50 1.7 17
  51 2.6 26
  52 1.5 15
  53 6 60
  54 5.8 58
  55 9.2 92
  56 20.4 204
  57 16.4 164
  58 2.7 27
  60 1.3 13
  61 2.1 21
  63 1.5 15
  65 2.1 21
  66 1.7 17
  67 3.8 38
  68 6.6 66
  69 10.2 102
  70 5.3 53
  71 3.8 38
  72 1.7 17
  73 1.1 11
  74 1 10
  75 1 10
  76 1.7 17
  77 4.3 43
  78 2 20
  79 1.7 17
  80 1.8 18
  81 5.2 52
  82 3.6 36
  83 39.7 397
  84 4 40
  85 1.8 18
  91 2.1 21
  93 2.8 28
  94 5 50
  95 10.7 107
  96 7.7 77
  97 2.7 27
  104 1.3 13
  105 3.7 37
  106 1 10
  107 1.9 19
  109 9 90
  110 2.2 22
  111 1.1 11
  112 2.5 25
  113 1.8 18
  118 2 20
  119 1.5 15
  120 5.2 52
  121 7.7 77
  122 4.2 42
  123 51.9 519
  124 5.2 52
  125 2.2 22
  126 1.3 13
  127 3.2 32
  128 4.2 42
  133 1.1 11
  134 7.8 78
  135 12.6 126
  136 3.8 38
  137 2.1 21
  149 6.1 61
  150 1.6 16
  151 79.3 793
  152 9.2 92
  153 2.1 21
  154 1 10
  155 3.9 39
  156 4.7 47
  167 3.7 37
  168 1.9 19
  169 1.4 14
  179 2.1 21
  180 1.7 17
  182 1 10
  183 1.4 14
  208 99.99 999
  209 15.1 151
  210 2 20
//