MassBank Record: KO002740



 D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002740
RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., 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 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-ZWKOTPCHSA-N
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 302 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03xr-9000000000-6dd6eb4c242974e7f7cc PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 41.000 79208.0 24 43.200 391089.5 119 44.800 34653.5 11 45.900 24752.5 8 55.300 985149.5 299 56.300 193069.5 59 57.100 579208.5 176 60.100 3297033.0 999 64.900 34653.5 11 66.900 1346536.0 408 69.100 792080.0 240 70.200 173267.5 53 71.200 257426.0 78 78.900 242574.5 74 81.200 732674.0 222 82.000 14851.5 5 83.300 227723.0 69 84.200 29703.0 9 86.200 99010.0 30 90.800 54455.5 17 93.300 39604.0 12 95.000 440594.5 134 96.900 39604.0 12 107.500 34653.5 11 109.200 79208.0 24 111.700 19802.0 6 119.400 14851.5 5 //