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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004370

BENZOIN TETRAHYDROPYRAN-2-YL ETHER; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004370
RECORD_TITLE: BENZOIN TETRAHYDROPYRAN-2-YL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAGIWARA H, CHEM. RES. INST. OF NON-AQUEOUS SOLUTIONS, TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BENZOIN TETRAHYDROPYRAN-2-YL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H20O3
CH$EXACT_MASS: 296.14124
CH$SMILES: C(C3)COC(C3)OC(c(c2)cccc2)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C19H20O3/c20-18(15-9-3-1-4-10-15)19(16-11-5-2-6-12-16)22-17-13-7-8-14-21-17/h1-6,9-12,17,19H,7-8,13-14H2
CH$LINK: INCHIKEY DNNDHIKCLIZHBH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30885968

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0a6r-9700000000-c389ff4c74bd630eb575
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 3.06 31
  28 2.94 29
  29 2.19 22
  39 3.33 33
  50 7.35 74
  51 27.81 278
  52 3.15 32
  53 0.79 8
  63 1.73 17
  74 2 20
  75 1.72 17
  76 2.7 27
  77 71.8 718
  78 9.3 93
  79 29.34 293
  80 2.28 23
  89 1.14 11
  105 99.99 999
  106 11.42 114
  107 33.64 336
  108 3.26 33
  165 1.2 12
  210 1.78 18
  212 1.38 14
//

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