ACCESSION: MSBNK-Kyoto_Univ-CA000174
RECORD_TITLE: (+)-delta-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] CA000174.jpg

CH$NAME: delta-Tocopherol
CH$NAME: (+)-delta-Tocopherol
CH$COMPOUND_CLASS: Natural Product; Lipid; Tocopherol
CH$FORMULA: C₂₇H₄₆O₂
CH$EXACT_MASS: 402.34978
CH$SMILES: C([C@@]2(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)Cc(c1O2)cc(O)cc1C
CH$IUPAC: InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1
CH$LINK: CHEMSPIDER 9948712
CH$LINK: PUBCHEM 11774029
CH$LINK: INCHIKEY GZIFEOYASATJEH-VHFRWLAGSA-N
CH$LINK: COMPTOX DTXSID1046263

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 402.4948

PK$SPLASH: splash10-0f79-3900300000-b386c284d8df022747b4
PK$NUM_PEAK: 348
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//