MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006758
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006758
RECORD_TITLE: M-BROMOBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: M-BROMOBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5BrO
CH$EXACT_MASS: 183.95238
CH$SMILES: O=Cc(c1)cc(Br)cc1
CH$IUPAC: InChI=1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H
CH$LINK: INCHIKEY
SUISZCALMBHJQX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4027521
AC$INSTRUMENT: HITACHI RMS-4
AC$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$SPLASH: splash10-0f9i-9800000000-9a22906d6d0dae14e210
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
40 6.3 63
43 1.5 15
44 2.4 24
45 0.15 2
48 2.1 21
49 14.2 142
50 99.99 999
51 5.6 56
52 4.2 42
53 4.2 42
60 2.4 24
61 0.72 7
62 7.2 72
63 4.5 45
65 2.4 24
72 0.21 2
73 14.5 145
74 48.5 485
75 56 560
76 5.87 59
77 58.7 587
78 5.4 54
79 4.5 45
80 0.15 2
81 4.2 42
82 1.5 15
84 1.5 15
85 0.24 2
86 2.7 27
87 1.5 15
89 1.5 15
91 0.12 1
92 1.2 12
93 1.2 12
103 1.5 15
104 0.48 5
105 2.4 24
106 1.5 15
107 1.8 18
116 0.12 1
117 1.5 15
118 1.2 12
119 1.5 15
128 0.18 2
129 2.4 24
130 1.8 18
131 2.4 24
155 4.76 48
156 23.5 235
157 45.8 458
158 6.9 69
183 7.83 78
184 68.1 681
185 80.1 801
186 70.2 702
187 6.6 66
//
system version 2.2.6-SNAPSHOT