MassBank Record: KO002739



 D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002739
RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 302 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03xr-9000000000-3157cbca45e3dce158e4 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 30.300 59406.0 10 41.300 24752.5 4 43.200 311881.5 51 43.900 59406.0 10 46.000 39604.0 6 50.300 24752.5 4 55.300 915842.5 149 57.200 1039605.0 169 60.100 6128719.0 999 67.000 1688120.5 275 69.100 1638615.5 267 69.900 366337.0 60 71.200 747525.5 122 72.300 14851.5 2 78.800 148515.0 24 81.000 1861388.0 303 83.100 688119.5 112 84.200 44554.5 7 85.100 202970.5 33 85.900 242574.5 40 87.800 19802.0 3 93.200 108911.0 18 95.200 1712873.0 279 97.200 301980.5 49 98.700 49505.0 8 109.100 549505.5 90 122.900 84158.5 14 137.300 89109.0 15 254.700 430693.5 70 266.900 24752.5 4 284.600 74257.5 12 //