ACCESSION: MSBNK-Keio_Univ-KO002738
RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-01qa-9130000000-819bc3df8d7408799b9f
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  42.800 59406.0 11
  50.100 29703.0 6
  55.000 188119.0 36
  57.100 529703.5 100
  60.100 5282183.5 999
  66.900 747525.5 141
  69.100 876238.5 166
  69.800 143564.5 27
  71.100 1054456.5 199
  73.900 39604.0 7
  78.700 59406.0 11
  81.200 2044556.5 387
  83.300 1277229.0 242
  85.300 549505.5 104
  86.000 346535.0 66
  88.900 39604.0 7
  89.500 14851.5 3
  93.400 34653.5 7
  95.100 2975250.5 563
  97.100 1183169.5 224
  98.400 19802.0 4
  102.700 14851.5 3
  109.300 1653467.0 313
  111.300 495050.0 94
  120.900 24752.5 5
  123.300 326733.0 62
  125.000 39604.0 7
  137.200 252475.5 48
  145.000 54455.5 10
  149.400 9901.0 2
  151.600 24752.5 5
  154.500 19802.0 4
  159.000 89109.0 17
  160.100 34653.5 7
  162.900 14851.5 3
  240.300 351485.5 66
  254.700 1881190.0 356
  266.600 1079209.0 204
  284.700 3905944.5 739
  302.600 123762.5 23
//