ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002038
RECORD_TITLE: 2,5-DIMETHOXYPYRIMIDINE; 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$NAME: 2,5-DIMETHOXYPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₈N₂O₂
CH$EXACT_MASS: 140.05858
CH$SMILES: COc(c1)cnc(OC)n1
CH$IUPAC: InChI=1S/C6H8N2O2/c1-9-5-3-7-6(10-2)8-4-5/h3-4H,1-2H3
CH$LINK: INCHIKEY JCDHBXYIWAUNSH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90343155

AC$INSTRUMENT: MS-902
AC$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$SPLASH: splash10-01ox-4900000000-dd55651667f8cdda96e1
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  38 2.2 22
  39 7.3 73
  40 3.3 33
  41 0.3 3
  42 16.9 169
  43 3.1 31
  44 2 20
  51 0.19 2
  52 3.4 34
  53 13.9 139
  54 7.2 72
  55 2.26 23
  56 19 190
  57 2.1 21
  65 1 10
  67 0.6 6
  68 3.9 39
  69 1.3 13
  70 21.7 217
  77 0.14 1
  79 1.5 15
  80 2.1 21
  81 3.1 31
  82 0.32 3
  83 18.1 181
  96 1.5 15
  97 9.1 91
  98 0.51 5
  109 3.1 31
  110 57.3 573
  111 51.8 518
  112 0.35 4
  118 1 10
  124 1.8 18
  125 23.2 232
  126 0.18 2
  139 58 580
  140 99.99 999
  141 7.9 79
//