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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002523

PARA-METHOXYBENZYL ACETATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002523
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$NAME: PARA-METHOXYBENZYL ACETATE
CH$NAME: ANISYL 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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00di-5900000000-085e2f064c20eae3deb2
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  14 1 10
  15 6.45 65
  27 1.55 16
  28 1 10
  29 1.24 12
  38 1.74 17
  39 6.54 65
  40 1.19 12
  41 1.93 19
  43 25.96 260
  50 3.8 38
  51 8.95 90
  52 5.16 52
  53 1.55 16
  55 1 10
  62 1.21 12
  63 4.92 49
  64 3.7 37
  65 4.51 45
  66 2.39 24
  76 1.41 14
  77 18.71 187
  78 12.11 121
  79 2.27 23
  89 5.82 58
  90 6.61 66
  91 16.93 169
  92 5.78 58
  94 3.8 38
  105 5.63 56
  106 2.65 27
  107 3.44 34
  109 8.19 82
  119 3.65 37
  120 42.12 421
  121 99.99 999
  122 9.46 95
  135 3.58 36
  136 1.05 11
  137 6.97 70
  138 18.52 185
  139 1.74 17
  180 43.13 431
  181 4.94 49
//

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