ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010458
RECORD_TITLE: META-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$NAME: META-FLUOROANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇FO
CH$EXACT_MASS: 126.04809
CH$SMILES: COc(c1)cc(F)cc1
CH$IUPAC: InChI=1S/C7H7FO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
CH$LINK: INCHIKEY MFJNOXOAIFNSBX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90196567

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$SPLASH: splash10-004j-9600000000-19f6ca9742420c9f94a3
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 3.72 37
  26 1.41 14
  29 2.81 28
  31 1.91 19
  37 1.27 13
  38 2.07 21
  39 3.06 31
  50 3.54 35
  51 2.1 21
  56 1.06 11
  57 11.32 113
  61 1.16 12
  62 1.67 17
  63 4.15 42
  64 1.22 12
  68 1.1 11
  69 1.66 17
  70 2.33 23
  74 1.76 18
  75 5.93 59
  77 1.8 18
  81 2.54 25
  82 1.86 19
  83 33.28 333
  84 2.69 27
  95 7.35 74
  96 42.35 424
  97 11.9 119
  98 1.28 13
  111 3.32 33
  112 3.3 33
  125 1.89 19
  126 99.99 999
  127 8.9 89
//