ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008775
RECORD_TITLE: BENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: BENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆O
CH$EXACT_MASS: 106.04186
CH$SMILES: O=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
CH$LINK: CAS 100-52-7
CH$LINK: INCHIKEY HUMNYLRZRPPJDN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8039241

AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-0pdi-9500000000-eee2fac3cee7076204ca
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  37 6.88 69
  38 8.25 83
  39 10.54 105
  49 5.52 55
  50 37.84 378
  51 58.08 581
  52 14.22 142
  53 1.94 19
  61 1.56 16
  62 2.15 22
  63 2.91 29
  73 2.61 26
  74 10.38 104
  75 4.56 46
  77 99.99 999
  78 17.78 178
  105 83.82 838
  106 86.21 862
  107 6.16 62
//