MassBank Record: KO002736



 D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002736
RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D078

CH$NAME: Dihydrosphingosine CH$NAME: 2-Amino-1,3-dihydroxyoctadecane CH$NAME: Sphinganine CH$NAME: D-erythro-Dihydrosphingosine CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H39NO2 CH$EXACT_MASS: 301.29808 CH$SMILES: [H]OC([H])([H])[C@]([H])(N([H])[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] CH$IUPAC: InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1 CH$LINK: CAS 764-22-7 CH$LINK: CHEBI 16566 CH$LINK: KEGG C00836 CH$LINK: NIKKAJI J14.383I CH$LINK: PUBCHEM SID:4094
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 302 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0009000000-4d5daf40edf51d7c5ce4 PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 67.800 99010.0 1 79.800 9901.0 1 85.000 49505.0 1 86.000 371287.5 5 91.900 44554.5 1 98.900 24752.5 1 104.300 34653.5 1 113.000 44554.5 1 117.800 24752.5 1 127.200 356436.0 5 129.400 29703.0 1 141.000 64356.5 1 145.100 14851.5 1 154.000 272277.5 4 155.100 44554.5 1 158.000 24752.5 1 159.200 108911.0 1 167.600 24752.5 1 168.400 39604.0 1 187.300 64356.5 1 192.100 29703.0 1 194.300 24752.5 1 199.200 128713.0 2 207.100 14851.5 1 212.900 29703.0 1 217.600 514852.0 7 226.200 64356.5 1 226.500 24752.5 1 234.600 94059.5 1 241.900 44554.5 1 243.300 14851.5 1 249.500 29703.0 1 253.200 29703.0 1 266.400 113861.5 1 270.200 54455.5 1 284.500 1930695.0 25 285.700 2519804.5 33 302.700 76613938.0 999 519.000 24752.5 1 //