ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002094
RECORD_TITLE: 1,2-BENZENEDICARBALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 1,2-BENZENEDICARBALDEHYDE
CH$NAME: ORTHO-PHTHALALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₆O₂
CH$EXACT_MASS: 134.03678
CH$SMILES: O=Cc(c1)c(C=O)ccc1
CH$IUPAC: InChI=1S/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H
CH$LINK: INCHIKEY ZWLUXSQADUDCSB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6032514

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0pdi-9500000000-95efe464dfb075a64362
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  26 1.81 18
  27 5.93 59
  29 10.42 104
  37 5.12 51
  38 5.93 59
  39 9.99 100
  49 3.87 39
  50 29.96 300
  51 49.44 494
  52 11.3 113
  53 4.68 47
  61 3.12 31
  62 3.87 39
  63 4.49 45
  73 2.5 25
  74 11.3 113
  75 6.24 62
  76 10.11 101
  77 84.52 845
  78 17.67 177
  104 3.25 33
  105 99.99 999
  106 30.15 302
  120 4.99 50
  133 7.62 76
  134 35.58 356
  135 3.12 31
//