ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009170
RECORD_TITLE: ANISOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ANISOLE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0ar0-9300000000-03da541e1b0fc350901b
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 5.32 53
  26 1.33 13
  27 2.78 28
  29 1.97 20
  37 3.09 31
  38 8.61 86
  39 33.61 336
  40 1.17 12
  49 1 10
  50 10.77 108
  51 19.2 192
  52 4.08 41
  53 1.47 15
  61 1.21 12
  62 3.5 35
  63 10.91 109
  64 5.12 51
  65 67.41 674
  66 4.21 42
  74 3.56 36
  75 1.52 15
  76 1.3 13
  77 17.54 175
  78 56.46 565
  79 13.9 139
  80 1.27 13
  92 1.54 15
  93 13.86 139
  107 1.82 18
  108 99.99 999
  109 7.79 78
//