ACCESSION: MSBNK-Keio_Univ-KO002282
RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; 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 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
CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N
CH$LINK: COMPTOX DTXSID00179902

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$FOCUSED_ION: PRECURSOR_M/Z 302
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03ej-9400000000-8df4e83290b0834e5ddf
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  54.900 29703.0 285
  57.300 64356.5 618
  60.800 14851.5 143
  63.200 34653.5 333
  69.100 39604.0 381
  70.900 64356.5 618
  80.800 34653.5 333
  84.000 39604.0 381
  95.800 103960.5 999
  98.000 19802.0 190
  112.000 99010.0 951
  117.500 19802.0 190
  138.000 89109.0 856
//