ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005623
RECORD_TITLE: 5-FLUORODEOXYURIDINE; CI-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: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS AMMONIA

PK$SPLASH: splash10-00kb-2910000000-2efae68e874a5fdba01c
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  81 7 70
  98 79 790
  99 7 70
  112 0.05 1
  114 2 20
  115 73 730
  116 37 370
  117 0.04 0
  129 10 100
  130 4 40
  134 56 560
  135 0.04 0
  148 99.99 999
  149 6 60
  152 4 40
  153 0.06 1
  214 4 40
  228 10 100
  229 2 20
  232 0.1 1
  233 2 20
  247 9 90
  264 29 290
  265 0.03 0
  266 1 10
//