MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008820
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008820
RECORD_TITLE: PENTAFLUOROBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA
CH$NAME: PENTAFLUOROBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7HF5O
CH$EXACT_MASS: 195.99476
CH$SMILES: O=Cc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H
CH$LINK: INCHIKEY
QJXCFMJTJYCLFG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4022101
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$SPLASH: splash10-0002-3900000000-969027231d52c835802b
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
43 1.53 15
55 5.06 51
56 3.38 34
57 0.9 9
60 0.42 4
61 2.78 28
68 2.88 29
69 4.92 49
74 6.49 65
75 8.19 82
79 19.65 197
80 5.21 52
86 4.6 46
87 0.44 4
93 21.13 211
98 22.41 224
99 51.69 517
100 2.74 27
110 2.78 28
117 58.77 588
118 9.77 98
124 1.45 15
129 2.73 27
130 0.59 6
137 10.79 108
148 13.17 132
149 5.2 52
161 0.51 5
167 49.98 500
168 26.12 261
169 0.74 7
195 94.81 948
196 99.99 999
197 8.04 80
//
system version 2.2.8-SNAPSHOT