MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002685

1-O-TETRADECYL-2,3-DI-O-ACETYLGLYCEROL; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002685
RECORD_TITLE: 1-O-TETRADECYL-2,3-DI-O-ACETYLGLYCEROL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 1-O-TETRADECYL-2,3-DI-O-ACETYLGLYCEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₀O₅
CH$EXACT_MASS: 372.28757
CH$SMILES: CCCCCCCCCCCCCCOCC(COC(C)=O)OC(C)=O
CH$IUPAC: InChI=1S/C21H40O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-21(26-20(3)23)18-25-19(2)22/h21H,4-18H2,1-3H3
CH$LINK: INCHIKEY UYEQSZIEGZNHSU-UHFFFAOYSA-N

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AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 250 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS AMMONIA

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PK$SPLASH: splash10-002f-5209000000-c0a80a1c3541337568fd
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  77 71.4 714
  91 1.4 14
  100 7.3 73
  112 7.8 78
  136 4.4 44
  159 8.4 84
  390 99.99 999
  391 20.9 209
//