MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008805
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008805
RECORD_TITLE: UNDECANAL 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$NAME: UNDECANAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H24F5NO
CH$EXACT_MASS: 365.17781
CH$SMILES: CCCCCCCCCCC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C18H24F5NO/c1-2-3-4-5-6-7-8-9-10-11-24-25-12-13-14(19)16(21)18(23)17(22)15(13)20/h11H,2-10,12H2,1H3/b24-11-
CH$LINK: INCHIKEY
XJDXRHQPJGTNHN-MYKKPKGFSA-N
AC$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-9830000000-9dec79c43e9711920c31
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
41 26.95 270
42 4.67 47
43 25.25 253
44 2.1 21
54 5.02 50
55 14.88 149
56 6.02 60
57 11.11 111
58 2.14 21
67 3 30
68 2.52 25
69 9.56 96
70 2.62 26
71 3.29 33
79 2.19 22
81 3.86 39
82 5.59 56
83 7.61 76
85 2.04 20
86 1.95 20
93 2.31 23
95 2.98 30
96 5.45 55
97 6.31 63
98 3.18 32
99 4.21 42
110 3.99 40
111 2.23 22
117 2.55 26
119 2.22 22
124 2.94 29
149 1.65 17
150 3.01 30
161 4.25 43
167 2.45 25
168 2.53 25
177 4.58 46
178 2.44 24
181 99.99 999
182 7.78 78
184 7.14 71
194 1.62 16
195 3.84 38
196 1.85 19
197 2.47 25
198 4.77 48
202 1.6 16
207 7.42 74
222 4.72 47
239 38.06 381
240 4.08 41
252 1.98 20
//
system version 2.2.6-SNAPSHOT