ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001826
RECORD_TITLE: ANISOLE; 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$NAME: ANISOLE
CH$NAME: METHOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈O
CH$EXACT_MASS: 108.05751
CH$SMILES: COc(c1)cccc1
CH$IUPAC: InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
CH$LINK: INCHIKEY RDOXTESZEPMUJZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4041608

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0ar0-9300000000-9d7f6749c18da0bb17a5
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 1.25 13
  27 1.87 19
  28 1.75 18
  37 1.75 18
  38 4.99 50
  39 22.03 220
  50 6.74 67
  51 12.48 125
  52 3.12 31
  53 1.19 12
  62 1.87 19
  63 6.37 64
  64 3.68 37
  65 56.74 567
  66 3.62 36
  74 2.37 24
  77 19.29 193
  78 66.79 668
  79 13.73 137
  80 1.31 13
  92 1.44 14
  93 15.04 150
  94 1.31 13
  107 2.62 26
  108 99.99 999
  109 7.49 75
//