ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011791
RECORD_TITLE: ORTHO-FLUOROBENZALDEHYDE; 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$NAME: ORTHO-FLUOROBENZALDEHYDE
CH$NAME: 2-FLUOROBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅FO
CH$EXACT_MASS: 124.03244
CH$SMILES: O=Cc(c1)c(F)ccc1
CH$IUPAC: InChI=1S/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5H
CH$LINK: INCHIKEY ZWDVQMVZZYIAHO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8022030

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-00di-6900000000-a32d07f8e13c7ee20a7e
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  29 4.3 43
  31 1.27 13
  37 1.85 19
  38 1.7 17
  39 2.49 25
  43 1.18 12
  49 1.45 15
  50 10.16 102
  51 4.78 48
  57 2.27 23
  61 1.69 17
  62 2.08 21
  63 2.32 23
  68 3.86 39
  69 6.19 62
  70 6.77 68
  73 1.36 14
  74 6.41 64
  75 18.21 182
  76 4.28 43
  77 1.26 13
  92 1.14 11
  93 1.3 13
  94 3.57 36
  95 42.84 428
  96 11.29 113
  123 99.99 999
  124 82.48 825
  125 8.29 83
//