MassBank Record: KO002566



 Castanospermine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002566
RECORD_TITLE: Castanospermine; LC-ESI-QQ; MS2; CE:50 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 C043

CH$NAME: Castanospermine CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H15NO4 CH$EXACT_MASS: 189.10011 CH$SMILES: O[C@@H](C1)[C@@H](O)[C@H](O)[C@@H]([C@@H](O)2)N(CC2)1 CH$IUPAC: InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1 CH$LINK: CAS 79831-76-8 CH$LINK: KEGG C02256 CH$LINK: NIKKAJI J52.984B CH$LINK: PUBCHEM SID:5318
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 190 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00lr-9000000000-1798e7ef1f3d1099d86d PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 40.800 14851.5 115 42.300 34653.5 269 43.900 59406.0 461 54.800 24752.5 192 57.000 44554.5 346 57.900 34653.5 269 67.100 113861.5 884 68.100 59406.0 461 70.200 59406.0 461 75.500 44554.5 346 78.600 69307.0 538 80.000 74257.5 576 81.200 29703.0 231 83.900 128713.0 999 86.000 49505.0 384 86.500 14851.5 115 99.700 24752.5 192 112.200 64356.5 500 //