MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008808
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008808
RECORD_TITLE: TETRADECANAL 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$NAME: TETRADECANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H30F5NO
CH$EXACT_MASS: 407.22476
CH$SMILES: CCCCCCCCCCCCCC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C21H30F5NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-28-15-16-17(22)19(24)21(26)20(25)18(16)23/h14H,2-13,15H2,1H3/b27-14+
CH$LINK: INCHIKEY
XGPWCYWECONRBN-MZJWZYIUSA-N
AC$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: splash10-001u-9640000000-eb1ad779360798f25f91
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
41 34.16 342
42 7.19 72
43 35.88 359
44 2.6 26
46 1.51 15
53 2.31 23
54 4.57 46
55 20.55 206
56 8.16 82
57 17.99 180
58 2.95 30
67 4.99 50
68 2.79 28
69 12.49 125
70 5.76 58
71 6.34 63
72 1.95 20
79 2.91 29
80 1.34 13
81 4.97 50
82 6.09 61
83 8.27 83
84 3.11 31
85 2.78 28
86 1.7 17
93 2.88 29
95 3.39 34
96 7.5 75
97 9.88 99
98 4.61 46
99 4.13 41
100 1.75 18
110 6.31 63
111 4.51 45
112 1.56 16
117 3.17 32
119 2.39 24
124 4.03 40
131 1.51 15
138 1.91 19
149 1.7 17
150 2.65 27
151 1.27 13
152 1.88 19
161 3.6 36
166 1.83 18
167 2.9 29
168 1.71 17
176 1.47 15
177 6.02 60
178 2.53 25
179 1.22 12
181 99.99 999
182 7.14 71
194 1.93 19
195 3.79 38
196 1.96 20
197 3.55 36
198 5.65 57
202 2.06 21
207 9.59 96
208 2.52 25
210 1.91 19
219 1.87 19
222 6.45 65
226 14.95 150
227 2.55 26
239 61.55 616
240 6.89 69
252 2.75 28
//