MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002032

2-AMINOPYRIMIDINE 1-OXIDE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002032
RECORD_TITLE: 2-AMINOPYRIMIDINE 1-OXIDE; 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$NAME: 2-AMINOPYRIMIDINE 1-OXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₅N₃O
CH$EXACT_MASS: 111.04326
CH$SMILES: Nc(n1)[n+1]([O-1])ccc1
CH$IUPAC: InChI=1S/C4H5N3O/c5-4-6-2-1-3-7(4)8/h1-3H,(H2,5,6)
CH$LINK: INCHIKEY BAEWURLBOZSGIA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10956463

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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$SPLASH: splash10-03di-6900000000-e091f19d3de9fbbe7ab4
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  44 4.1 41
  45 1.6 16
  47.5 1.3 13
  51 0.19 2
  52 6 60
  53 7.5 75
  54 4.4 44
  55 0.14 1
  55.5 1.3 13
  57 1.6 16
  66 3.3 33
  67 1.1 11
  68 17.6 176
  69 2.8 28
  70 14.2 142
  77 0.11 1
  81 1.7 17
  84 1.7 17
  94 2.2 22
  95 2.48 25
  96 1.7 17
  111 99.99 999
  112 6.3 63
//