MassBank Record: KO002737



 D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002737
RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 302 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0f89-2196000000-86bd4d9593c5a53dfc94 PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 57.100 153465.5 9 60.100 772278.0 46 67.100 34653.5 2 68.200 128713.0 8 69.300 69307.0 4 71.100 747525.5 44 73.300 14851.5 1 77.900 39604.0 2 81.300 485149.0 29 83.300 435644.0 26 85.100 351485.5 21 86.000 297030.0 18 86.500 19802.0 1 89.000 34653.5 2 95.000 1103961.5 66 97.000 613862.0 36 98.600 74257.5 4 104.800 24752.5 1 108.900 900991.0 54 111.500 712872.0 42 123.100 559406.5 33 125.000 89109.0 5 127.200 133663.5 8 129.000 113861.5 7 133.900 29703.0 2 136.200 29703.0 2 137.000 267327.0 16 140.700 89109.0 5 145.200 94059.5 6 154.300 94059.5 6 159.200 198020.0 12 165.100 74257.5 4 170.900 9901.0 1 179.300 49505.0 3 186.800 19802.0 1 193.000 54455.5 3 199.300 84158.5 5 209.500 19802.0 1 217.400 34653.5 2 226.200 39604.0 2 229.400 19802.0 1 240.600 405941.0 24 249.700 113861.5 7 254.700 594060.0 35 266.500 1143565.5 68 267.400 178218.0 11 284.600 16801997.0 999 285.400 158416.0 9 302.700 13242587.5 787 //