MassBank Record: JP001316

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ACETIC ACID PARA-METHOXY BENZYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP001316
RECORD_TITLE: ACETIC ACID PARA-METHOXY BENZYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ACETIC ACID PARA-METHOXY BENZYL ESTER
CH$NAME: 4-METHOXYBENZYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O3
CH$EXACT_MASS: 180.07864000000000714862835593521595001220703125
CH$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

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-00di-4900000000-60ea4405cfb2f971c2dd
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 1.92 19
  28 1.32 13
  39 3.71 37
  43 20.12 201
  50 2.32 23
  51 6.62 66
  52 3.38 34
  63 3.38 34
  64 2.38 24
  65 3.18 32
  66 1.32 13
  77 18.46 185
  78 9.6 96
  79 1.72 17
  89 5.29 53
  90 4.96 50
  91 21.05 211
  92 5.63 56
  94 3.31 33
  105 4.96 50
  106 2.45 25
  107 3.24 32
  109 8.27 83
  119 4.04 40
  120 38.32 383
  121 99.99 999
  122 8.87 89
  135 2.25 23
  137 6.09 61
  138 19.19 192
  139 1.19 12
  163 1.32 13
  180 41.03 410
  181 3.97 40
//