MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009500

THYMINE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009500
RECORD_TITLE: THYMINE; 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

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CH$NAME: THYMINE
CH$NAME: 5-METHYLURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₆N₂O₂
CH$EXACT_MASS: 126.04293
CH$SMILES: CC(=C1)C(=O)NC(=O)N1
CH$IUPAC: InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
CH$LINK: CAS 65-71-4
CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4052342

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-004i-9500000000-74b6d7909610070d30d0
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  18 1.22 12
  26 4.65 47
  27 10.06 101
  28 28.56 286
  29 2.41 24
  38 1.93 19
  39 5.35 54
  40 3.01 30
  42 1.94 19
  43 4.47 45
  44 3.71 37
  51 1.8 18
  52 6.98 70
  53 4.13 41
  54 23.97 240
  55 62.89 629
  56 4.56 46
  70 2.46 25
  71 2.15 22
  82 6.62 66
  83 9.34 93
  84 1.46 15
  97 1.23 12
  126 99.99 999
  127 8.33 83
//