ACCESSION: MSBNK-Keio_Univ-KO002281
RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-0c09-9600000000-abe4124da5fd75317024
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  43.300 64356.5 220
  50.200 24752.5 85
  57.300 292079.5 999
  67.200 9901.0 34
  69.300 64356.5 220
  71.000 252475.5 864
  76.600 14851.5 51
  81.200 44554.5 152
  83.900 54455.5 186
  85.000 64356.5 220
  95.900 69307.0 237
  98.100 59406.0 203
  98.900 34653.5 119
  109.100 64356.5 220
  112.200 292079.5 999
  122.400 14851.5 51
  124.200 19802.0 68
  125.900 44554.5 152
  134.300 34653.5 119
  138.000 252475.5 864
  145.200 24752.5 85
//