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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010459

PARA-FLUOROANISOLE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010459
RECORD_TITLE: PARA-FLUOROANISOLE; 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$NAME: PARA-FLUOROANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7FO
CH$EXACT_MASS: 126.04809
CH$SMILES: COc(c1)ccc(F)c1
CH$IUPAC: InChI=1S/C7H7FO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
CH$LINK: INCHIKEY VIPWUFMFHBIKQI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3060033

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$SPLASH: splash10-0059-9600000000-8ab968303968b5f29e86
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  15 4.95 50
  26 1.09 11
  29 3.17 32
  31 4.45 45
  37 2.11 21
  38 3 30
  39 3.91 39
  43 1.98 20
  49 1.07 11
  50 6.39 64
  51 3.63 36
  53 1.11 11
  56 3.38 34
  57 21.84 218
  58 1.28 13
  61 2.58 26
  62 3.56 36
  63 6.85 69
  64 1.35 14
  68 2.09 21
  69 3.34 33
  70 1.51 15
  73 1.15 12
  74 3.69 37
  75 10.81 108
  76 1.05 11
  77 1.35 14
  81 5.08 51
  82 4.06 41
  83 75.89 759
  84 4.4 44
  94 1.42 14
  95 9.56 96
  96 10.13 101
  97 3.96 40
  110 1.41 14
  111 54.3 543
  112 3.96 40
  126 99.99 999
  127 7.79 78
//

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