ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003734
RECORD_TITLE: 1-(4,6-DIMETHOXY-1,2-DIHYDRO-1,3,5-TRIAZINE-2-YLIDENE)-2-(4,6 -DIMETHOXY-1,3,5-TRIAZINE-2-YL)-CYCLOPENTA-2,4-DIENE; 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$NAME: 1-(4,6-DIMETHOXY-1,2-DIHYDRO-1,3,5-TRIAZINE-2-YLIDENE)-2-(4,6 -DIMETHOXY-1,3,5-TRIAZINE-2-YL)-CYCLOPENTA-2,4-DIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H16N6O4
CH$EXACT_MASS: 344.12330
CH$SMILES: COC(=N3)NC(N=C(OC)3)=C(C([H])=2)C(=C([H])C([H])2)c(n1)nc(OC)nc(OC)1
CH$IUPAC: InChI=1S/C15H16N6O4/c1-22-12-16-10(17-13(20-12)23-2)8-6-5-7-9(8)11-18-14(24-3)21-15(19-11)25-4/h5-7H,1-4H3,(H,16,17,20)
CH$LINK: INCHIKEY SKVANFQHFJNODI-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0006-8329000000-9d0ba6dc59e307b2ba0a
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  39 1.3 13
  40 5.8 58
  42 6.8 68
  49 0.23 2
  56 8 80
  58 36 360
  64 2.3 23
  69 0.09 1
  70 7 70
  72 46 460
  73 5 50
  77 0.01 0
  79 1 10
  88 0.8 8
  89 0.8 8
  90 0.13 1
  93 0.8 8
  94 0.8 8
  101 1 10
  102 0.08 1
  103 2.5 25
  104 1 10
  112 0.8 8
  115 3.5 35
  116 0.07 1
  117 1.5 15
  122 1.3 13
  129 0.24 2
  130 15.5 155
  131 8 80
  132 1 10
  134 0.01 0
  135 1 10
  136 1.8 18
  141 1 10
  142 0.05 1
  143 3.3 33
  172 7 70
  175 1.3 13
  203 0.13 1
  204 1.3 13
  205 1.3 13
  216 3.5 35
  217 0.13 1
  218 6 60
  219 1.5 15
  229 2.5 25
  230 1.25 13
  231 4.5 45
  243 2.5 25
  244 3 30
  245 0.25 3
  256 2 20
  257 1.5 15
  258 1 10
  259 0.06 1
  270 0.5 5
  271 1.3 13
  272 1.2 12
  273 0.05 1
  286 1 10
  299 1 10
  300 0.5 5
  301 0.05 1
  302 0.5 5
  329 0.6 6
  343 8 80
  344 99.99 999
  345 24 240
  346 2 20
//
