MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008804
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008804
RECORD_TITLE: DECANAL 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$NAME: DECANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H22F5NO
CH$EXACT_MASS: 351.16216
CH$SMILES: CCCCCCCCCC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C17H22F5NO/c1-2-3-4-5-6-7-8-9-10-23-24-11-12-13(18)15(20)17(22)16(21)14(12)19/h10H,2-9,11H2,1H3/b23-10+
CH$LINK: INCHIKEY
NUGDFCWVLOJWOP-AUEPDCJTSA-N
AC$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: splash10-001l-9830000000-4feacf9a1a4883f63d8b
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
41 28.77 288
42 4.83 48
43 25.78 258
44 0.87 9
54 4.7 47
55 15.59 156
56 5.48 55
57 10.94 109
58 2.16 22
67 3.02 30
68 1.77 18
69 9.65 97
70 2.9 29
71 3.38 34
79 1.49 15
81 3.79 38
82 5.87 59
83 6.67 67
84 0.6 6
85 0.84 8
86 0.81 8
93 0.96 10
95 2.68 27
96 6.25 63
97 5.8 58
98 3.2 32
99 3.83 38
110 3.86 39
111 0.92 9
117 2.71 27
119 0.92 9
124 2.06 21
149 0.68 7
150 1.25 13
161 3.89 39
167 1.01 10
168 1.87 19
177 4.46 45
178 1.69 17
181 99.99 999
182 6.86 69
184 6.56 66
194 0.67 7
195 4.08 41
196 1.48 15
197 2.53 25
198 4.72 47
202 0.66 7
207 7.44 74
222 4.71 47
239 39.19 392
240 3.05 31
252 1.58 16
//
system version 2.2.6-SNAPSHOT