MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010861

ETHYL 4-HYDROXYBEZOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010861
RECORD_TITLE: ETHYL 4-HYDROXYBEZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: ETHYL 4-HYDROXYBEZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₃
CH$EXACT_MASS: 166.06299
CH$SMILES: CCOC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
CH$LINK: INCHIKEY NUVBSKCKDOMJSU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9022528

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AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00di-6900000000-6a0e4e400b0c9ced0ae9
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 1.4 14
  26 1.8 18
  27 7.9 79
  29 6 60
  38 3 30
  39 17 170
  50 1.9 19
  51 1.5 15
  53 3.1 31
  62 1.8 18
  63 7 70
  64 3.4 34
  65 21.6 216
  66 1.8 18
  75 1.1 11
  81 1.2 12
  92 2.6 26
  93 15.3 153
  94 1.4 14
  121 99.99 999
  122 10.4 104
  138 18 180
  139 1.1 11
  166 18.5 185
  167 1.4 14
//