ACCESSION: MSBNK-Kyoto_Univ-CA000172
RECORD_TITLE: beta-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] CA000172.jpg

CH$NAME: beta-Tocopherol
CH$COMPOUND_CLASS: Natural Product; Lipid; Tocopherol
CH$FORMULA: C₂₈H₄₈O₂
CH$EXACT_MASS: 416.36543
CH$SMILES: C(CCCC(C2)(C)Oc(c(C2)1)c(cc(O)c(C)1)C)(C)CCCC(C)CCCC(C)C
CH$IUPAC: InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1
CH$LINK: CHEMSPIDER 8641
CH$LINK: KEGG C14152
CH$LINK: PUBCHEM 8989
CH$LINK: INCHIKEY WGVKWNUPNGFDFJ-DQCZWYHMSA-N
CH$LINK: COMPTOX DTXSID30884931

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 416.5406

PK$SPLASH: splash10-0gb9-3900600000-7085493a2b2fd6131b61
PK$NUM_PEAK: 462
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//