ACCESSION: MSBNK-Keio_Univ-KO002739
RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-03xr-9000000000-3157cbca45e3dce158e4
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  30.300 59406.0 10
  41.300 24752.5 4
  43.200 311881.5 51
  43.900 59406.0 10
  46.000 39604.0 6
  50.300 24752.5 4
  55.300 915842.5 149
  57.200 1039605.0 169
  60.100 6128719.0 999
  67.000 1688120.5 275
  69.100 1638615.5 267
  69.900 366337.0 60
  71.200 747525.5 122
  72.300 14851.5 2
  78.800 148515.0 24
  81.000 1861388.0 303
  83.100 688119.5 112
  84.200 44554.5 7
  85.100 202970.5 33
  85.900 242574.5 40
  87.800 19802.0 3
  93.200 108911.0 18
  95.200 1712873.0 279
  97.200 301980.5 49
  98.700 49505.0 8
  109.100 549505.5 90
  122.900 84158.5 14
  137.300 89109.0 15
  254.700 430693.5 70
  266.900 24752.5 4
  284.600 74257.5 12
//