MassBank Record: MSBNK-Kyoto_Univ-CA000170
ACCESSION: MSBNK-Kyoto_Univ-CA000170
RECORD_TITLE: alpha-Tocomonoenol; 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] CA000170.jpg
CH$NAME: alpha-Tocomonoenol
CH$COMPOUND_CLASS: Natural Product; Lipid
CH$FORMULA: C29H48O2
CH$EXACT_MASS: 428.36543
CH$SMILES: O(C(CCCC(C)CCCC(C)CCC=C(C)C)1C)c(c(C)2)c(c(C)c(O)c2C)CC1
CH$IUPAC: InChI=1S/C29H48O2/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/h12,21-22,30H,9-11,13-19H2,1-8H3
CH$LINK: CHEMSPIDER
8518018
CH$LINK: PUBCHEM 10342559
CH$LINK: INCHIKEY
ZYCUYLKDCYFZAS-UHFFFAOYSA-N
AC$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$FOCUSED_ION: BASE_PEAK 428.5503
PK$SPLASH: splash10-00or-2910500000-11fc5ed5e361bd7e6d79
PK$NUM_PEAK: 411
PK$PEAK: m/z int. rel.int.
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24.9866 0.02 0
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40.0025 0.34 3
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//
