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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010518

XANTHINE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010518
RECORD_TITLE: XANTHINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: XANTHINE
CH$NAME: 3,7-DIHYDRO-1H-PURINE-2,6-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H4N4O2
CH$EXACT_MASS: 152.03343
CH$SMILES: N/A
CH$IUPAC: N/A
CH$LINK: CAS 69-89-6

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0udi-9300000000-c47ac39338b18fe6620b
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  14 2.82 28
  16 1.82 18
  18 3.18 32
  27 17.93 179
  28 54.99 550
  29 3.7 37
  32 5.63 56
  38 4.94 49
  39 4.52 45
  40 1.43 14
  41 1.82 18
  42 3.72 37
  43 15.51 155
  44 7.7 77
  52 2.76 28
  53 38.1 381
  54 99.99 999
  55 5.82 58
  67 1.06 11
  69 2.05 21
  70 9.22 92
  80 3.7 37
  81 8.32 83
  82 5.05 51
  109 48.96 490
  110 3.5 35
  152 76.02 760
  153 6.75 68
//

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