MassBank Record: KO002740

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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)

ACCESSION: KO002740
RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:50 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: INCHIKEY OTKJDMGTUTTYMP-ZWKOTPCHSA-N
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 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.
  41.0 79208.0 24.0
  43.2 391090.0 119.0
  44.8 34653.5 11.0
  45.9 24752.5 8.0
  55.3 985150.0 299.0
  56.3 193070.0 59.0
  57.1 579208.0 176.0
  60.1 3297030.0 999.0
  64.9 34653.5 11.0
  66.9 1346540.0 408.0
  69.1 792080.0 240.0
  70.2 173268.0 53.0
  71.2 257426.0 78.0
  78.9 242574.0 74.0
  81.2 732674.0 222.0
  82.0 14851.5 5.0
  83.3 227723.0 69.0
  84.2 29703.0 9.0
  86.2 99010.0 30.0
  90.8 54455.5 17.0
  93.3 39604.0 12.0
  95.0 440594.0 134.0
  96.9 39604.0 12.0
  107.5 34653.5 11.0
  109.2 79208.0 24.0
  111.7 19802.0 6.0
  119.4 14851.5 5.0
//