ACCESSION: MSBNK-Keio_Univ-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
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 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
//