MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008807
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008807
RECORD_TITLE: TRIDECANAL 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$NAME: TRIDECANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H28F5NO
CH$EXACT_MASS: 393.20911
CH$SMILES: CCCCCCCCCCCCC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C20H28F5NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-26-27-14-15-16(21)18(23)20(25)19(24)17(15)22/h13H,2-12,14H2,1H3/b26-13+
CH$LINK: INCHIKEY
RBTHWMFPSLXCNJ-LGJNPRDNSA-N
AC$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-9740000000-15f38fa673bc4a96fe8c
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
41 32.56 326
42 6.28 63
43 32.12 321
44 2.33 23
46 1.52 15
49 0.77 8
51 0.9 9
53 2.06 21
54 4.28 43
55 18.31 183
56 7.18 72
57 15.86 159
58 3.36 34
59 1.1 11
67 3.95 40
68 2.38 24
69 10.93 109
70 4.13 41
71 5.15 52
72 1.67 17
75 1.22 12
79 2.02 20
80 1.28 13
81 4.1 41
82 5.54 55
83 6.34 63
84 2.68 27
85 1.85 19
86 1.59 16
93 2.15 22
95 3.12 31
96 5.82 58
97 7.67 77
98 3.32 33
99 3.57 36
100 1.67 17
109 1.53 15
110 4.43 44
111 3.04 30
112 1.24 12
117 2.33 23
123 0.77 8
124 2.4 24
125 0.92 9
130 0.69 7
131 1.33 13
137 0.62 6
138 1.42 14
149 1.14 11
150 2.27 23
151 0.85 9
152 1.3 13
161 3.34 33
166 0.89 9
167 2.15 22
168 1.33 13
169 1.19 12
176 1.43 14
177 4.43 44
178 2.04 20
179 1.22 12
181 99.99 999
182 7.3 73
184 0.94 9
189 0.76 8
190 0.7 7
194 2.59 26
195 3.54 35
196 2.4 24
197 2.55 26
198 3.94 39
202 1.82 18
207 8.25 83
208 1.01 10
212 12.25 123
213 1.74 17
219 1.45 15
222 6.08 61
226 1.19 12
239 52.05 521
240 5.16 52
252 2.53 25
//
system version 2.2.6-SNAPSHOT