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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000537

2-HYDROXY-4,5-DIMETHOXYACETOPHENONE; EI-B; MS

Mass Spectrum
40.0060.0080.00100.0120.0140.0160.0180.0200.0m/z0.000200.0400.0600.0800.01000Abundance
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000537
RECORD_TITLE: 2-HYDROXY-4,5-DIMETHOXYACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 2-HYDROXY-4,5-DIMETHOXYACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O4
CH$EXACT_MASS: 196.07356
CH$SMILES: COc(c1)c(OC)cc(C(C)=O)c(O)1
CH$IUPAC: InChI=1S/C10H12O4/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-5,12H,1-3H3
CH$LINK: INCHIKEY KEQHBVWVKYHDCS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40351684

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-001j-0900000000-fd1a1e3a68e89f6827b3
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  43 8.7 87
  95 1.36 14
  107 2.94 29
  110 2.56 26
  111 1.36 14
  121 1.4 14
  125 5.93 59
  135 8.32 83
  136 1.18 12
  137 1.71 17
  138 3.25 33
  153 5.08 51
  163 2.41 24
  167 2.32 23
  181 99.99 999
  182 11.46 115
  183 1.31 13
  196 97.66 977
  197 10.86 109
  198 1.31 13
//

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