ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008394
RECORD_TITLE: ANISYL ACETATE; 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$NAME: ANISYL ACETATE
CH$NAME: PARA-METHOXYBENZYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₃
CH$EXACT_MASS: 180.07864
CH$SMILES: COc(c1)ccc(COC(C)=O)c1
CH$IUPAC: InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
CH$LINK: INCHIKEY HFNGYHHRRMSKEU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1044770

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$SPLASH: splash10-00di-7900000000-30a71b31d69064484197
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  15 8.48 85
  27 1.65 17
  29 1.93 19
  38 1.96 20
  39 5.59 56
  40 1.16 12
  41 1.75 18
  42 1.59 16
  43 31.33 313
  50 4.46 45
  51 11.1 111
  52 6.05 61
  53 2.21 22
  55 1.32 13
  62 1.81 18
  63 6.03 60
  64 3.89 39
  65 4.96 50
  66 3 30
  76 1.48 15
  77 21.34 213
  78 16.67 167
  79 2.83 28
  89 5.04 50
  90 5.33 53
  91 19.42 194
  92 8.3 83
  94 3.77 38
  95 1.13 11
  105 5.21 52
  106 2.41 24
  107 3.11 31
  109 7.63 76
  119 3.49 35
  120 31.1 311
  121 99.99 999
  122 9.1 91
  135 3.24 32
  137 4.49 45
  138 12.61 126
  180 30.33 303
  181 2.77 28
//