ACCESSION: MSBNK-Kyoto_Univ-CA000178
RECORD_TITLE: alpha-Tocotrienol; 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] CA000178.jpg

CH$NAME: alpha-Tocotrienol
CH$COMPOUND_CLASS: Natural Product; Lipid
CH$FORMULA: C₂₉H₄₄O₂
CH$EXACT_MASS: 424.33413
CH$SMILES: O(C(CCC=C(C)CCC=C(C)CCC=C(C)C)1C)c(c(C)2)c(c(C)c(O)c2C)CC1
CH$IUPAC: InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+
CH$LINK: CHEBI 297750
CH$LINK: CHEMSPIDER 5021019
CH$LINK: PUBCHEM CID:6538275
CH$LINK: INCHIKEY RZFHLOLGZPDCHJ-KTWAZNHYSA-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 446.3496

PK$SPLASH: splash10-0002-4101900000-9c18cbdddff57e0652fe
PK$NUM_PEAK: 472
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//