MassBank Record: KO001664



 Psychosine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001664
RECORD_TITLE: Psychosine; 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 P067

CH$NAME: Psychosine CH$NAME: O-Galactosylsphingosine CH$NAME: Galactosylsphingosine CH$COMPOUND_CLASS: N/A CH$FORMULA: C24H47NO7 CH$EXACT_MASS: 461.33525 CH$SMILES: CCCCCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)1 CH$IUPAC: InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1 CH$LINK: CAS 2238-90-6 CH$LINK: CHEBI 16874 CH$LINK: KEGG C01747 CH$LINK: NIKKAJI J39.570F CH$LINK: PUBCHEM SID:4881
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 460 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0zg0-9400000000-713ec62c848a1bff7398 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 59.400 54455.5 523 70.600 19802.0 190 72.900 19802.0 190 82.900 14851.5 143 85.000 24752.5 238 88.700 34653.5 333 92.600 14851.5 143 95.000 24752.5 238 96.900 24752.5 238 100.900 103960.5 999 113.100 24752.5 238 //