MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005577
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005577
RECORD_TITLE: 1,3-BIS(TETRAHYDRO-2-FURANYL)-5-FLUOROURACIL; 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$NAME: 1,3-BIS(TETRAHYDRO-2-FURANYL)-5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H15FN2O4
CH$EXACT_MASS: 270.10159
CH$SMILES: FC(=C([H])1)C(=O)N(C(C3)OCC3)C(=O)N(C(C2)OCC2)1
CH$IUPAC: InChI=1S/C12H15FN2O4/c13-8-7-14(9-3-1-5-18-9)12(17)15(11(8)16)10-4-2-6-19-10/h7,9-10H,1-6H2
CH$LINK: INCHIKEY
FLMBDTNCANYTCP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20978873
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$SPLASH: splash10-014r-1090000000-5efef75cc19e5d590b10
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
88 32.6 326
218 99.99 999
219 16.3 163
271 1.96 20
272 4.4 44
288 50 500
289 10.9 109
//