MassBank Record: KO002280



 N-Acetyl-alpha-D-glucosamine 1-phosphate; 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: KO002280
RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; 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 A122

CH$NAME: N-Acetylglucosamine 1-phosphate CH$NAME: N-Acetyl-alpha-D-glucosamine 1-phosphate CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H16NO9P CH$EXACT_MASS: 301.05627 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)[C@H]1OP(O)(O)=O CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1 CH$LINK: CHEBI 16446 CH$LINK: KEGG C04501 CH$LINK: PUBCHEM SID:7115
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 302 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-074r-7900000000-70ce4e5791efbf997e07 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 50.300 99010.0 202 54.800 24752.5 50 57.100 267327.0 545 62.800 34653.5 71 69.000 24752.5 50 71.300 490099.5 999 81.100 44554.5 91 83.100 24752.5 50 84.900 99010.0 202 89.400 34653.5 71 97.900 34653.5 71 99.000 64356.5 131 100.100 24752.5 50 111.200 29703.0 61 111.900 435644.0 888 123.200 44554.5 91 124.600 24752.5 50 125.900 108911.0 222 127.200 29703.0 61 128.400 39604.0 81 131.300 14851.5 30 133.800 64356.5 131 138.100 376238.0 767 144.100 138614.0 283 151.900 29703.0 61 168.400 79208.0 161 173.300 24752.5 50 197.500 14851.5 30 206.400 9901.0 20 266.400 9901.0 20 //