MassBank Record: MSBNK-Keio_Univ-KO001663
ACCESSION: MSBNK-Keio_Univ-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$LINK: PUBCHEM
SID:4881
CH$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 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
//