ACCESSION: MSBNK-Keio_Univ-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
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 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
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  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
//