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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010905

DIPHENETHYL SUCCINATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010905
RECORD_TITLE: DIPHENETHYL SUCCINATE; 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

CH$NAME: DIPHENETHYL SUCCINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H22O4
CH$EXACT_MASS: 326.15181
CH$SMILES: O=C(OCCc(c2)cccc2)CCC(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C20H22O4/c21-19(23-15-13-17-7-3-1-4-8-17)11-12-20(22)24-16-14-18-9-5-2-6-10-18/h1-10H,11-16H2
CH$LINK: INCHIKEY SIOVMRDTCNJTPS-UHFFFAOYSA-N

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-2900000000-cb19a8d1074cc9209b8e
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  27 1.8 18
  39 1.5 15
  51 1.8 18
  55 1.5 15
  56 1.9 19
  65 2.8 28
  77 6.5 65
  78 2.6 26
  79 5.9 59
  91 8.2 82
  101 1 10
  103 4.9 49
  104 99.99 999
  105 38.8 388
  106 2.4 24
//

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