MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008802
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008802
RECORD_TITLE: OCTANAL 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$NAME: OCTANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H18F5NO
CH$EXACT_MASS: 323.13086
CH$SMILES: CCCCCCCC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C15H18F5NO/c1-2-3-4-5-6-7-8-21-22-9-10-11(16)13(18)15(20)14(19)12(10)17/h8H,2-7,9H2,1H3/b21-8-
CH$LINK: INCHIKEY
RLSQIXNUITTXKZ-WNFQYIGGSA-N
AC$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-6920000000-ce2f69f257e756174b77
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
41 22.74 227
42 3.79 38
43 14.45 145
44 0.78 8
46 0.64 6
51 0.54 5
53 0.99 10
54 3.57 36
55 10.87 109
56 3.05 31
57 6.66 67
58 2.23 22
67 2.24 22
68 0.96 10
69 6.67 67
70 0.86 9
71 0.53 5
72 0.65 7
75 0.7 7
79 1.02 10
80 0.3 3
81 2.03 20
82 5.68 57
83 2.73 27
84 0.34 3
86 0.66 7
93 1.34 13
96 2.52 25
97 0.77 8
98 0.97 10
99 3.17 32
109 0.92 9
110 0.62 6
111 0.77 8
112 0.29 3
114 0.32 3
117 2.6 26
119 1.5 15
131 0.86 9
142 2.85 29
143 0.62 6
149 0.63 6
150 1.78 18
155 0.31 3
161 3.55 36
162 0.27 3
167 2.11 21
168 0.8 8
169 0.26 3
176 0.92 9
177 3.36 34
178 1.27 13
179 0.57 6
181 99.99 999
182 7.16 72
194 0.99 10
195 3.42 34
196 1.16 12
197 1.11 11
198 3.02 30
202 0.86 9
207 5.99 60
219 0.3 3
222 4.21 42
239 32 320
240 2.62 26
252 1.44 14
//