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
//