ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011173
RECORD_TITLE: 1,3-DIMETHYL-1,9A-DIHYDRO-2H-PYRIMIDO(1,2-A)(1,3,5)TRIAZINE-2,4,8(3H,9H)-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$NAME: 1,3-DIMETHYL-1,9A-DIHYDRO-2H-PYRIMIDO(1,2-A)(1,3,5)TRIAZINE-2,4,8(3H,9H)-TRIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀N₄O₃
CH$EXACT_MASS: 210.07529
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/C8H10N4O3/c1-10-6-9-5(13)3-4-12(6)8(15)11(2)7(10)14/h3-4,6H,1-2H3,(H,9,13)
CH$LINK: INCHIKEY DKISKIJEFSNOLW-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$SPLASH: splash10-0a4m-9120000000-a8b1ee98b62eee93be1c
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  38 1 10
  39 3.7 37
  40 42.7 427
  41 22.1 221
  42 41.3 413
  43 7 70
  44 12.3 123
  51 1.2 12
  52 4.2 42
  53 8.9 89
  54 3.9 39
  55 8.7 87
  56 29.4 294
  57 15.9 159
  58 35.5 355
  59 1.3 13
  67 8.3 83
  68 65.9 659
  69 27 270
  70 10.9 109
  71 2 20
  79 2 20
  81 1.7 17
  82 3.3 33
  83 8.8 88
  84 13.1 131
  85 2 20
  87 1.1 11
  91 1.1 11
  95 16 160
  96 83 830
  97 40.2 402
  98 15 150
  99 1.3 13
  109 7.3 73
  110 4.6 46
  111 2.2 22
  113 1 10
  123 2.2 22
  124 3.1 31
  125 5.4 54
  141 2.4 24
  142 1.7 17
  152 48.5 485
  153 18.2 182
  154 1.8 18
  167 1.7 17
  181 2.2 22
  182 2.2 22
  208 3.4 34
  209 99.99 999
  210 57.4 574
  211 8.1 81
//