MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005575
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005575
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 METHANE
PK$SPLASH: splash10-0ue9-2490000000-d12baec4047294860c19
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
71 32.6 326
131 56.5 565
132 4.4 44
201 99.99 999
202 8.7 87
270 2.2 22
271 13 130
272 2.2 22
//