MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005621
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
//