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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000067

METHYL PARA HYDROXY BENZOATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000067
RECORD_TITLE: METHYL PARA HYDROXY BENZOATE; 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$NAME: METHYL PARA HYDROXY BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O3
CH$EXACT_MASS: 152.04734
CH$SMILES: COC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
CH$LINK: INCHIKEY LXCFILQKKLGQFO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4022529

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$SPLASH: splash10-00di-4900000000-5aa5692082b66b714b5d
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 2.4 24
  38 1.55 16
  39 9.82 98
  53 1.55 16
  63 2.69 27
  64 1.7 17
  65 16.25 163
  66 1.13 11
  77 1.2 12
  92 1.2 12
  93 26.08 261
  94 1.77 18
  121 99.99 999
  122 8.34 83
  151 1.55 16
  152 31.38 314
  153 2.61 26
//

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