MassBank Record: KO000282



 N-Acetylgalactosamine 6-sulfate; 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: KO000282
RECORD_TITLE: N-Acetylgalactosamine 6-sulfate; 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 A184

CH$NAME: N-Acetylgalactosamine 6-sulfate CH$NAME: N-Acetyl-D-galactosamine 6-sulfate CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H15NO9S CH$EXACT_MASS: 301.04675 CH$SMILES: CC(=O)NC(C(O)1)C(O)C(O)C(O1)COS(O)(=O)=O CH$IUPAC: InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1 CH$LINK: CAS 157296-99-6 CH$LINK: KEGG C04255 CH$LINK: PUBCHEM SID:6920
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 300 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9200000000-243a4bcb2c54d82f6d4c PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 58.200 54455.5 35 59.000 108911.0 70 79.800 49505.0 32 80.900 128713.0 83 97.000 1549506.5 999 100.000 123762.5 80 139.000 440594.5 284 198.900 9901.0 6 //