ACCESSION: MSBNK-Keio_Univ-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: 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 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.
  67.800 99010.0 1
  79.800 9901.0 1
  85.000 49505.0 1
  86.000 371287.5 5
  91.900 44554.5 1
  98.900 24752.5 1
  104.300 34653.5 1
  113.000 44554.5 1
  117.800 24752.5 1
  127.200 356436.0 5
  129.400 29703.0 1
  141.000 64356.5 1
  145.100 14851.5 1
  154.000 272277.5 4
  155.100 44554.5 1
  158.000 24752.5 1
  159.200 108911.0 1
  167.600 24752.5 1
  168.400 39604.0 1
  187.300 64356.5 1
  192.100 29703.0 1
  194.300 24752.5 1
  199.200 128713.0 2
  207.100 14851.5 1
  212.900 29703.0 1
  217.600 514852.0 7
  226.200 64356.5 1
  226.500 24752.5 1
  234.600 94059.5 1
  241.900 44554.5 1
  243.300 14851.5 1
  249.500 29703.0 1
  253.200 29703.0 1
  266.400 113861.5 1
  270.200 54455.5 1
  284.500 1930695.0 25
  285.700 2519804.5 33
  302.700 76613938.0 999
  519.000 24752.5 1
//