MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000067

METHYL PARA HYDROXY BENZOATE; EI-B; MS

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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

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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

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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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
//