ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005584
RECORD_TITLE: 1-BUTYL-5-FLUOROURACIL; 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$NAME: 1-BUTYL-5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11FN2O2
CH$EXACT_MASS: 186.08046
CH$SMILES: CCCCN(C(=O)1)C([H])=C(F)C(=O)N1
CH$IUPAC: InChI=1S/C8H11FN2O2/c1-2-3-4-11-5-6(9)7(12)10-8(11)13/h5H,2-4H2,1H3,(H,10,12,13)
CH$LINK: INCHIKEY RCHKDVLSPJBSLU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60516773
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0f8l-4900000000-80810cc7e750ae4ef122
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  27 16 160
  28 20 200
  29 33 330
  31 0.06 1
  39 14 140
  40 4 40
  41 26 260
  42 0.06 1
  44 8 80
  45 13 130
  55 9 90
  56 0.11 1
  57 16 160
  58 10 100
  59 6 60
  60 0.04 0
  72 7 70
  73 4 40
  74 13 130
  75 0.11 1
  84 6 60
  86 5 50
  87 36 360
  88 0.09 1
  100 71 710
  101 21 210
  102 6 60
  114 0.27 3
  115 8 80
  130 99.99 999
  131 33 330
  132 0.05 1
  142 4 40
  143 43 430
  144 48 480
  145 0.07 1
  157 18 180
  158 4 40
  167 5 50
  168 0.01 0
  169 27 270
  170 5 50
  171 11 110
  185 0.28 3
  186 95 950
  187 25 250
//
