MassBank Record: MSBNK-Kyoto_Univ-CA000171
ACCESSION: MSBNK-Kyoto_Univ-CA000171
RECORD_TITLE: alpha-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] CA000171.jpg
CH$NAME: alpha-Tocopherol
CH$COMPOUND_CLASS: Natural Product; Lipid; Tocopherol
CH$FORMULA: C29H50O2
CH$EXACT_MASS: 430.38108
CH$SMILES: O(C(CCCC(C)CCCC(C)CCCC(C)C)1C)c(c(C)2)c(c(C)c(O)c2C)CC1
CH$IUPAC: InChI=1S/C29H50O2/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/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
CH$LINK: CHEBI
175628
CH$LINK: CHEMSPIDER
2032
CH$LINK: PUBCHEM 2116
CH$LINK: INCHIKEY
GVJHHUAWPYXKBD-IEOSBIPESA-N
CH$LINK: COMPTOX
DTXSID0026339
AC$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$FOCUSED_ION: BASE_PEAK 430.4511
PK$SPLASH: splash10-00lr-4910600000-4d1dbec4d3c409800086
PK$NUM_PEAK: 927
PK$PEAK: m/z int. rel.int.
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//
