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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009402

PARA-FLUOROBENZALDEHYDE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009402
RECORD_TITLE: PARA-FLUOROBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PARA-FLUOROBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5FO
CH$EXACT_MASS: 124.03244
CH$SMILES: O=Cc(c1)ccc(F)c1
CH$IUPAC: InChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H
CH$LINK: INCHIKEY UOQXIWFBQSVDPP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0038756

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$SPLASH: splash10-00dj-9400000000-bccc26b19ce9ece9604e
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  18 1.17 12
  26 2.62 26
  27 2.44 24
  29 18.18 182
  31 6.31 63
  36 1.11 11
  37 8.01 80
  38 7.43 74
  39 7.63 76
  43 3.11 31
  44 1.26 13
  45 2.02 20
  48 2.04 20
  49 5.23 52
  50 29.7 297
  51 14.75 148
  52 2.09 21
  53 1.24 12
  56 2 20
  57 6.76 68
  61 5.16 52
  62 5.61 56
  63 6.3 63
  68 8.68 87
  69 13.63 136
  70 13.26 133
  73 3.72 37
  74 15.96 160
  75 44.71 447
  76 5.5 55
  77 1.76 18
  81 1.96 20
  92 2 20
  93 2.33 23
  94 6.91 69
  95 91.74 917
  96 20.06 201
  97 1.32 13
  109 2.19 22
  123 99.99 999
  124 93.32 933
  125 8.35 84
//

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