ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010457
RECORD_TITLE: ORTHO-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$NAME: ORTHO-FLUOROANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇FO
CH$EXACT_MASS: 126.04809
CH$SMILES: COc(c1)c(F)ccc1
CH$IUPAC: InChI=1S/C7H7FO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
CH$LINK: INCHIKEY JIXDOBAQOWOUPA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50185891

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$SPLASH: splash10-0059-9600000000-350136586061a3e0d298
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  15 5.33 53
  26 1.02 10
  27 1.03 10
  29 3.2 32
  31 3.64 36
  37 2.26 23
  38 3.41 34
  39 5.28 53
  43 2.7 27
  49 1.05 11
  50 5.88 59
  51 4.18 42
  53 1.21 12
  56 2.85 29
  57 21.92 219
  58 1.49 15
  61 2.1 21
  62 2.8 28
  63 6.33 63
  64 2.06 21
  68 2.33 23
  69 3.23 32
  70 1.42 14
  74 3.21 32
  75 9.82 98
  76 1.22 12
  77 2.35 24
  78 1.06 11
  81 5.02 50
  82 3.41 34
  83 72.52 725
  84 4.19 42
  92 1.39 14
  94 1.28 13
  95 7.13 71
  96 8.26 83
  97 6.41 64
  111 45.81 458
  112 3.32 33
  125 1.33 13
  126 99.99 999
  127 7.93 79
//