MassBank Record: KO000280



 N-Acetylgalactosamine 6-sulfate; 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: KO000280
RECORD_TITLE: N-Acetylgalactosamine 6-sulfate; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 300 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-6900000000-0b66df1afee876f53414 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 59.300 29703.0 19 95.300 24752.5 16 97.000 1594061.0 999 99.900 44554.5 28 138.900 752476.0 472 141.700 24752.5 16 154.200 29703.0 19 165.800 19802.0 12 184.000 54455.5 34 199.000 1420793.5 890 282.000 133663.5 84 300.600 212871.5 133 //