ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005927
RECORD_TITLE: PARA-METHOXYBENZYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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$LINK: COMPTOX DTXSID1044770
CH$LINK: INCHIKEY HFNGYHHRRMSKEU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7695

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-1900000000-158d3ed1444b4191bc5c
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  43 6.01 60
  77 5.69 57
  78 2.79 28
  89 1.72 17
  90 4.18 42
  91 12.55 126
  92 3.33 33
  93 1.93 19
  105 4.29 43
  106 1.72 17
  107 2.36 24
  109 7.73 77
  119 3.54 35
  120 52.04 520
  121 99.99 999
  123 9.22 92
  135 1.5 15
  137 6.87 69
  138 25.54 255
  139 2.46 25
  180 72.21 722
  181 8.26 83
//