MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006759
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006759
RECORD_TITLE: 5-BROMOSALICYLALDEHYDE; 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$NAME: 5-BROMOSALICYLALDEHYDE
CH$NAME: 5-BROMO-2-HYDROXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5BrO2
CH$EXACT_MASS: 199.94729
CH$SMILES: O=Cc(c(O)1)cc(Br)cc1
CH$IUPAC: InChI=1S/C7H5BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
CH$LINK: COMPTOX
DTXSID8022165
CH$LINK: INCHIKEY
MKKSTJKBKNCMRV-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:72863
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-03xr-9400000000-750ef4730c7c0ebf342c
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
40 4.2 42
41 2.6 26
42 4.8 48
43 0.26 3
45 2.1 21
45.5 2.1 21
46 32.8 328
46.5 0.48 5
60 6.3 63
60.5 2.9 29
61 26.5 265
62 4.87 49
63 99.99 999
64 48.1 481
65 98.4 984
66 1.64 16
67 3.7 37
69 2.1 21
71.5 1.6 16
72 0.37 4
72.5 1.6 16
73 7.9 79
74 23.8 238
75 4.18 42
76 6.9 69
77 3.2 32
79 3.7 37
80 0.58 6
81 3.2 32
82 5.8 58
85 2.1 21
85.5 0.26 3
86 12.2 122
86.5 2.6 26
87 11.1 111
90 0.42 4
91 7.1 71
92 21.2 212
93 16.9 169
94 0.42 4
95 2.1 21
99.5 3.2 32
100 5.8 58
100.5 0.37 4
101 5.8 58
103 2.9 29
116 2.6 26
117 1.22 12
118 2.9 29
119 11.1 111
120 2.4 24
121 0.24 2
143 28 280
144 4 40
145 26.5 265
146 0.29 3
154 29.1 291
155 3.7 37
156 27 270
157 0.29 3
170 2.9 29
171 24.9 249
172 9.5 95
173 0.24 2
174 7.1 71
182 14.8 148
183 2.1 21
184 1.38 14
185 2.1 21
//