MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002031

5-METHOXYPYRIMIDINE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002031
RECORD_TITLE: 5-METHOXYPYRIMIDINE; 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

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CH$NAME: 5-METHOXYPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₆N₂O
CH$EXACT_MASS: 110.04801
CH$SMILES: COc(c1)cncn1
CH$IUPAC: InChI=1S/C5H6N2O/c1-8-5-2-6-4-7-3-5/h2-4H,1H3
CH$LINK: INCHIKEY JIADELSANNMYFC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90341494

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-03di-8900000000-108eb68304fce860d83b
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  38 1.2 12
  39 3.5 35
  40 13 130
  41 0.14 1
  42 2.4 24
  51 3.5 35
  52 6.6 66
  53 0.12 1
  56 41.3 413
  57 1.4 14
  66 1.4 14
  67 0.11 1
  68 21.1 211
  79 1.3 13
  83 9.2 92
  94 0.1 1
  110 99.99 999
  111 7.3 73
//