MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008996

BENZYL SALICYLATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008996
RECORD_TITLE: BENZYL SALICYLATE; 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$NAME: BENZYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₂O₃
CH$EXACT_MASS: 228.07864
CH$SMILES: Oc(c2)c(ccc2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
CH$LINK: CAS 118-58-1
CH$LINK: INCHIKEY ZCTQGTTXIYCGGC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1024598

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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$SPLASH: splash10-0006-9000000000-f1bb87f256bac665a791
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  53 1.05 11
  63 2.67 27
  64 1.63 16
  65 12.38 124
  77 1.56 16
  89 1.58 16
  91 99.99 999
  92 9.82 98
  93 1.29 13
  121 2.49 25
  228 10.79 108
  229 1.49 15
//