MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009402
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009402
RECORD_TITLE: PARA-FLUOROBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PARA-FLUOROBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5FO
CH$EXACT_MASS: 124.03244
CH$SMILES: O=Cc(c1)ccc(F)c1
CH$IUPAC: InChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H
CH$LINK: INCHIKEY
UOQXIWFBQSVDPP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0038756
AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-00dj-9400000000-bccc26b19ce9ece9604e
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
18 1.17 12
26 2.62 26
27 2.44 24
29 18.18 182
31 6.31 63
36 1.11 11
37 8.01 80
38 7.43 74
39 7.63 76
43 3.11 31
44 1.26 13
45 2.02 20
48 2.04 20
49 5.23 52
50 29.7 297
51 14.75 148
52 2.09 21
53 1.24 12
56 2 20
57 6.76 68
61 5.16 52
62 5.61 56
63 6.3 63
68 8.68 87
69 13.63 136
70 13.26 133
73 3.72 37
74 15.96 160
75 44.71 447
76 5.5 55
77 1.76 18
81 1.96 20
92 2 20
93 2.33 23
94 6.91 69
95 91.74 917
96 20.06 201
97 1.32 13
109 2.19 22
123 99.99 999
124 93.32 933
125 8.35 84
//
system version 2.2.6-SNAPSHOT