MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008810
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008810
RECORD_TITLE: METHYL ETHYL KETONE 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$NAME: METHYL ETHYL KETONE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H10F5NO
CH$EXACT_MASS: 267.06825
CH$SMILES: CCC(C)=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C11H10F5NO/c1-3-5(2)17-18-4-6-7(12)9(14)11(16)10(15)8(6)13/h3-4H2,1-2H3/b17-5-
CH$LINK: INCHIKEY
LNDQFOSWZJYEIC-ZWSORDCHSA-N
AC$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-4910000000-b46d0436bc0343a256d2
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
41 7.68 77
42 12.54 125
43 1.25 13
44 0.96 10
51 0.7 7
52 0.18 2
53 0.51 5
54 0.91 9
55 3.35 34
56 22.42 224
57 1.23 12
68 2.92 29
69 1.78 18
70 0.44 4
71 0.48 5
75 1.07 11
79 0.23 2
81 1.13 11
86 4.41 44
93 1.62 16
98 0.58 6
99 2.87 29
111 0.2 2
112 0.5 5
117 2.82 28
118 0.22 2
119 1.75 18
130 0.19 2
131 1.13 11
137 0.67 7
143 0.42 4
148 0.23 2
149 0.26 3
150 0.89 9
155 1.01 10
161 3.38 34
162 0.65 7
167 3.18 32
168 1.43 14
169 0.88 9
177 0.65 7
181 99.99 999
182 7.5 75
190 0.56 6
195 8.57 86
196 1.55 16
197 1.02 10
217 0.18 2
220 0.89 9
234 1.28 13
237 0.88 9
250 17.49 175
251 2.15 22
252 0.7 7
267 3.63 36
268 0.24 2
//