MassBank Record: KO002738



 D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002738
RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 302 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01qa-9130000000-819bc3df8d7408799b9f PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 42.800 59406.0 11 50.100 29703.0 6 55.000 188119.0 36 57.100 529703.5 100 60.100 5282183.5 999 66.900 747525.5 141 69.100 876238.5 166 69.800 143564.5 27 71.100 1054456.5 199 73.900 39604.0 7 78.700 59406.0 11 81.200 2044556.5 387 83.300 1277229.0 242 85.300 549505.5 104 86.000 346535.0 66 88.900 39604.0 7 89.500 14851.5 3 93.400 34653.5 7 95.100 2975250.5 563 97.100 1183169.5 224 98.400 19802.0 4 102.700 14851.5 3 109.300 1653467.0 313 111.300 495050.0 94 120.900 24752.5 5 123.300 326733.0 62 125.000 39604.0 7 137.200 252475.5 48 145.000 54455.5 10 149.400 9901.0 2 151.600 24752.5 5 154.500 19802.0 4 159.000 89109.0 17 160.100 34653.5 7 162.900 14851.5 3 240.300 351485.5 66 254.700 1881190.0 356 266.600 1079209.0 204 284.700 3905944.5 739 302.600 123762.5 23 //