MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008803
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008803
RECORD_TITLE: NONANAL 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$NAME: NONANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H20F5NO
CH$EXACT_MASS: 337.14651
CH$SMILES: CCCCCCCCC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C16H20F5NO/c1-2-3-4-5-6-7-8-9-22-23-10-11-12(17)14(19)16(21)15(20)13(11)18/h9H,2-8,10H2,1H3/b22-9-
CH$LINK: INCHIKEY
DYTJHXNVXCBNHN-AFPJDJCSSA-N
AC$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-8930000000-b74673754b6453d0aedc
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
41 27.31 273
42 4.89 49
43 22.05 221
44 1.72 17
46 0.6 6
51 0.4 4
53 1.64 16
54 4.24 42
55 12.56 126
56 4.24 42
57 8 80
58 2.47 25
59 0.33 3
67 2.75 28
68 1.92 19
69 9.47 95
70 2.12 21
71 2.99 30
72 0.99 10
79 1.47 15
80 0.65 7
81 3.41 34
82 5.08 51
83 4.88 49
84 1.55 16
85 1.09 11
86 1.27 13
93 1.64 16
95 1.87 19
96 4.26 43
97 2.73 27
98 2.14 21
99 2.94 29
100 0.8 8
110 2.54 25
111 0.81 8
112 0.73 7
117 2.28 23
119 1.85 19
124 0.88 9
131 0.73 7
137 0.43 4
143 0.27 3
149 0.8 8
150 1.85 19
154 0.37 4
155 0.33 3
161 3.48 35
162 0.36 4
167 1.51 15
168 1.23 12
169 0.4 4
170 5.8 58
171 0.31 3
176 0.96 10
177 3.75 38
178 1.52 15
179 0.33 3
181 99.99 999
182 0.74 7
189 0.35 4
194 0.92 9
195 3.29 33
196 0.97 10
197 1.89 19
198 3.29 33
202 1.26 13
207 0.61 6
208 0.37 4
219 0.82 8
222 4.79 48
223 0.3 3
226 0.34 3
239 38.24 382
240 3.91 39
252 1.7 17
//
system version 2.2.8-SNAPSHOT