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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000068

ETHYL SALICYLATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000068
RECORD_TITLE: ETHYL SALICYLATE; 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$NAME: ETHYL SALICYLATE
CH$NAME: ETHYL ORTHO HYDROXY BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O3
CH$EXACT_MASS: 166.06299
CH$SMILES: CCOC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
CH$LINK: INCHIKEY GYCKQBWUSACYIF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021958

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$SPLASH: splash10-00di-5900000000-f5eb6e8bd07e0d734060
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  27 2.89 29
  29 2.82 28
  38 1.44 14
  39 10.61 106
  53 2.38 24
  63 5.78 58
  64 8.01 80
  65 12.56 126
  92 44.26 443
  93 9.96 100
  120 99.99 999
  121 27.94 279
  122 1.88 19
  138 2.09 21
  166 25.99 260
  167 2.53 25
//

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