ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005621
RECORD_TITLE: 5-FLUORODEOXYURIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 5-FLUORODEOXYURIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₁FN₂O₅
CH$EXACT_MASS: 246.06520
CH$SMILES: OCC([H])(O1)C([H])(O)CC([H])1N(C(=O)2)C([H])=C(F)C(=O)N2
CH$IUPAC: InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
CH$LINK: INCHIKEY ODKNJVUHOIMIIZ-RRKCRQDMSA-N
CH$LINK: COMPTOX DTXSID3023057

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 24 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00lr-9600000000-155a97133c7827d2a1ce
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  39 4 40
  40 10 100
  41 6 60
  42 0.11 1
  43 10 100
  44 15 150
  45 19 190
  46 0.17 2
  47 1 10
  48 6 60
  52 2 20
  53 0.07 1
  54 3 30
  55 9 90
  56 5 50
  57 0.15 2
  58 10 100
  59 11 110
  60 25 250
  61 0.02 0
  68 7 70
  69 17 170
  70 11 110
  71 0.18 2
  72 4 40
  73 27 270
  74 4 40
  75 0.02 0
  81 15 150
  82 5 50
  83 1 10
  84 0.01 0
  85 10 100
  86 6 60
  87 42 420
  88 0.11 1
  97 15 150
  98 17 170
  99 23 230
  100 0.05 1
  112 1 10
  113 2 20
  114 15 150
  115 0.05 1
  116 6 60
  117 75 750
  118 10 100
  119 0.01 0
  125 3 30
  130 99.99 999
  131 23 230
  132 0.02 0
  133 1 10
  154 5 50
  156 1 10
  157 0.09 1
  158 3 30
  185 1 10
  197 3 30
  215 0.01 0
  246 3 30
  247 1 10
//