ACCESSION: MSBNK-Keio_Univ-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: 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 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.
  41.000 79208.0 24
  43.200 391089.5 119
  44.800 34653.5 11
  45.900 24752.5 8
  55.300 985149.5 299
  56.300 193069.5 59
  57.100 579208.5 176
  60.100 3297033.0 999
  64.900 34653.5 11
  66.900 1346536.0 408
  69.100 792080.0 240
  70.200 173267.5 53
  71.200 257426.0 78
  78.900 242574.5 74
  81.200 732674.0 222
  82.000 14851.5 5
  83.300 227723.0 69
  84.200 29703.0 9
  86.200 99010.0 30
  90.800 54455.5 17
  93.300 39604.0 12
  95.000 440594.5 134
  96.900 39604.0 12
  107.500 34653.5 11
  109.200 79208.0 24
  111.700 19802.0 6
  119.400 14851.5 5
//