MassBank Record: MSBNK-Keio_Univ-KO003798
ACCESSION: MSBNK-Keio_Univ-KO003798
RECORD_TITLE: Psychosine; LC-ESI-QQ; MS2; CE:10 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$LINK: PUBCHEM
SID:4881
CH$LINK: INCHIKEY
HHJTWTPUPVQKNA-PIIMIWFASA-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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 462
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0000900000-d006ef20f4a2e7908bfe
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
212.500 39604.0 1
234.300 84158.5 1
246.500 39604.0 1
264.400 445545.0 7
282.600 287129.0 4
300.800 118812.0 2
331.500 39604.0 1
332.500 108911.0 2
341.000 14851.5 1
363.500 94059.5 1
386.500 29703.0 1
402.300 54455.5 1
403.200 9901.0 1
426.300 69307.0 1
429.600 143564.5 2
444.700 1371288.5 21
445.400 980199.0 15
462.800 64495114.0 999
//