MassBank Record: KO001663



 Psychosine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001663
RECORD_TITLE: Psychosine; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 460 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0ik9-0900100000-1ebe95bab577cf8aadd5 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 93.200 29703.0 240 100.900 123762.5 999 112.900 94059.5 759 118.900 49505.0 400 128.500 24752.5 200 160.800 29703.0 240 252.800 9901.0 80 258.500 9901.0 80 278.000 9901.0 80 319.500 19802.0 160 460.800 44554.5 360 //