MassBank Record: CA000173

ACCESSION: CA000173
RECORD_TITLE: (+)-gamma-Tocopherol; EI-EBEB; MS; POS
DATE: 2016.01.19 (2007.03.15, 2011.05.10)
AUTHORS: Akimoto NGraduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development, Graduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development
LICENSE: CC BY-SA
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000173.jpg
CH$NAME: gamma-Tocopherol
CH$NAME: (+)-gamma-Tocopherol
CH$COMPOUND_CLASS: Natural Product; Lipid; Tocopherol
CH$FORMULA: C28H48O2
CH$EXACT_MASS: 416.36543
CH$SMILES: [C@H](CCC[C@@](C2)(C)Oc(c(C2)1)c(C)c(C)c(O)c1)(C)CCC[C@H](C)CCCC(C)C
CH$IUPAC: InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1
CH$LINK: CHEBI 298402
CH$LINK: CHEMSPIDER 14266
CH$LINK: KEGG D02332
CH$LINK: PUBCHEM 14986
CH$LINK: INCHIKEY QUEDXNHFTDJVIY-DQCZWYHMSA-N
AC$INSTRUMENT: JMS-HX/HX 110A, JEOL
AC$INSTRUMENT_TYPE: EI-EBEB
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION EI
MS$FOCUSED_ION: BASE_PEAK 416.5011
PK$SPLASH: splash10-0gb9-2900500000-756c5b8975a2fd7b7edc
PK$NUM_PEAK: 228
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//