MassBank Record: KO002736

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D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002736
RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:10 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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 302
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udi-0009000000-4d5daf40edf51d7c5ce4
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  67.8 99010.0 1.0
  79.8 9901.0 1.0
  85.0 49505.0 1.0
  86.0 371288.0 5.0
  91.9 44554.5 1.0
  98.9 24752.5 1.0
  104.3 34653.5 1.0
  113.0 44554.5 1.0
  117.8 24752.5 1.0
  127.2 356436.0 5.0
  129.4 29703.0 1.0
  141.0 64356.5 1.0
  145.1 14851.5 1.0
  154.0 272278.0 4.0
  155.1 44554.5 1.0
  158.0 24752.5 1.0
  159.2 108911.0 1.0
  167.6 24752.5 1.0
  168.4 39604.0 1.0
  187.3 64356.5 1.0
  192.1 29703.0 1.0
  194.3 24752.5 1.0
  199.2 128713.0 2.0
  207.1 14851.5 1.0
  212.9 29703.0 1.0
  217.6 514852.0 7.0
  226.2 64356.5 1.0
  226.5 24752.5 1.0
  234.6 94059.5 1.0
  241.9 44554.5 1.0
  243.3 14851.5 1.0
  249.5 29703.0 1.0
  253.2 29703.0 1.0
  266.4 113862.0 1.0
  270.2 54455.5 1.0
  284.5 1930700.0 25.0
  285.7 2519800.0 33.0
  302.7 7.6613904E7 999.0
  519.0 24752.5 1.0
//