MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008796
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008796
RECORD_TITLE: ACETALDEHYDE 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$NAME: ACETALDEHYDE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H6F5NO
CH$EXACT_MASS: 239.03695
CH$SMILES: CC=NOCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C9H6F5NO/c1-2-15-16-3-4-5(10)7(12)9(14)8(13)6(4)11/h2H,3H2,1H3/b15-2+
CH$LINK: INCHIKEY
AKDRYEADQPNLOH-RSSMCMFDSA-N
AC$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-1900000000-a71c1412bd3f5006d93c
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
41 2.42 24
42 2.32 23
44 0.33 3
49 0.11 1
51 0.86 9
56 0.17 2
57 0.43 4
58 1.52 15
61 0.23 2
62 0.32 3
68 0.25 3
69 2.14 21
74 0.36 4
75 1.29 13
79 0.65 7
80 0.53 5
81 1.52 15
86 0.23 2
92 0.21 2
93 2.13 21
98 1.1 11
99 3.01 30
100 0.13 1
105 0.12 1
111 0.47 5
112 1 10
113 0.24 2
117 3.71 37
118 0.43 4
119 1.67 17
129 0.21 2
130 0.38 4
131 1.77 18
137 0.68 7
143 0.81 8
148 0.53 5
149 0.48 5
150 1.13 11
155 1.36 14
161 4.98 50
162 1.13 11
163 0.11 1
167 2.94 29
168 1.31 13
169 0.42 4
177 0.61 6
178 0.41 4
179 0.46 5
181 99.99 999
182 7.27 73
183 0.16 2
192 0.39 4
195 3.13 31
196 0.78 8
197 0.4 4
198 0.45 5
209 1.16 12
210 1.14 11
239 1.09 11
//