ACCESSION: MSBNK-Keio_Univ-KO002278
RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0udr-1191000000-431cc932b9f53e453d32
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  68.000 544555.0 215
  71.100 34653.5 14
  71.800 29703.0 12
  86.300 420792.5 167
  104.100 123762.5 49
  104.300 24752.5 10
  106.200 74257.5 29
  112.000 54455.5 22
  122.500 39604.0 16
  127.300 247525.0 98
  141.100 133663.5 53
  157.800 29703.0 12
  158.400 54455.5 22
  168.400 64356.5 25
  173.300 54455.5 22
  192.700 44554.5 18
  199.700 14851.5 6
  204.300 1940596.0 768
  217.400 84158.5 33
  225.400 84158.5 33
  227.400 49505.0 20
  234.100 108911.0 43
  238.000 44554.5 18
  242.000 64356.5 25
  244.400 589109.5 233
  248.300 89109.0 35
  249.200 24752.5 10
  252.200 29703.0 12
  266.300 415842.0 165
  267.500 64356.5 25
  270.200 64356.5 25
  284.700 49505.0 20
  285.500 2524755.0 999
  302.700 1123763.5 445
//