ACCESSION: MSBNK-Kyoto_Univ-CA000173
RECORD_TITLE: (+)-gamma-Tocopherol; EI-EBEB; MS; POS
DATE: 2016.01.19 (Created 2007.03.15, modified 2011.05.10)
AUTHORS: Akimoto N, 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
CH$LINK: COMPTOX DTXSID9049031

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
PK$PEAK: m/z int. rel.int.
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//