MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008809
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008809
RECORD_TITLE: ACETONE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA
CH$NAME: ACETONE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H8F5NO
CH$EXACT_MASS: 253.05260
CH$SMILES: CC(C)=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C10H8F5NO/c1-4(2)16-17-3-5-6(11)8(13)10(15)9(14)7(5)12/h3H2,1-2H3
CH$LINK: INCHIKEY
DLIFNTQMBOCKTL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80345204
AC$INSTRUMENT: HP 5970
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-2910000000-6d03966b1e1e7cbb4cd5
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
41 5.22 52
42 4.34 43
43 0.26 3
44 0.19 2
50 0.11 1
51 0.77 8
52 0.26 3
54 1.08 11
55 0.64 6
56 2.51 25
57 0.35 4
61 0.24 2
62 0.28 3
68 0.23 2
69 1.66 17
70 0.42 4
72 6.68 67
73 0.23 2
74 0.31 3
75 1.05 11
79 0.41 4
80 0.35 4
81 1.1 11
86 0.21 2
87 0.1 1
92 0.16 2
93 1.68 17
98 0.73 7
99 2.38 24
100 0.22 2
105 0.18 2
106 0.09 1
110 0.08 1
111 0.34 3
112 0.73 7
113 0.23 2
117 2.99 30
118 0.37 4
119 1.45 15
120 0.1 1
123 0.1 1
124 0.12 1
129 0.18 2
130 0.33 3
131 1.23 12
132 0.1 1
137 0.59 6
141 0.15 2
143 0.65 7
148 0.45 5
149 0.38 4
150 0.69 7
155 1.06 11
161 3.81 38
162 0.74 7
163 0.31 3
164 0.11 1
167 2.67 27
168 1.22 12
169 0.55 6
176 0.63 6
177 0.22 2
178 0.15 2
181 99.99 999
182 7.3 73
183 0.23 2
194 0.26 3
195 3.55 36
196 0.6 6
197 0.48 5
203 0.21 2
206 5.11 51
207 0.52 5
223 5.71 57
224 0.62 6
233 0.7 7
234 0.36 4
236 3.94 39
237 0.47 5
238 0.25 3
253 6.55 66
254 0.74 7
//
system version 2.2.6-SNAPSHOT