ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010909
RECORD_TITLE: ANISYL ISOVALERATE; 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$NAME: ANISYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₃
CH$EXACT_MASS: 222.12559
CH$SMILES: COc(c1)ccc(COC(=O)CC(C)C)c1
CH$IUPAC: InChI=1S/C13H18O3/c1-10(2)8-13(14)16-9-11-4-6-12(15-3)7-5-11/h4-7,10H,8-9H2,1-3H3
CH$LINK: INCHIKEY LOGIKTHBNCEEST-UHFFFAOYSA-N

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$SPLASH: splash10-00di-4900000000-2f55157928b4d914fd00
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 2.4 24
  29 2.9 29
  39 5 50
  41 8.6 86
  42 1.5 15
  43 3.5 35
  51 2.5 25
  52 2 20
  53 1 10
  57 7.5 75
  63 1.4 14
  64 1.1 11
  65 1.7 17
  77 8.6 86
  78 8.8 88
  85 2.2 22
  89 2.4 24
  90 2.1 21
  91 6.7 67
  92 2.3 23
  94 1.1 11
  105 1.6 16
  106 1 10
  107 1.2 12
  109 2.7 27
  119 1.2 12
  120 14.3 143
  121 99.99 999
  122 9.1 91
  135 1.7 17
  137 1.9 19
  138 12.3 123
  139 1 10
  222 13.7 137
  223 1.8 18
//