ACCESSION: MSBNK-Keio_Univ-KO000241
RECORD_TITLE: N-Acetyl-D-glucosamine 6-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 A144

CH$NAME: N-Acetylglucosamine 6-phosphate
CH$NAME: N-Acetyl-D-glucosamine 6-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆NO₉P
CH$EXACT_MASS: 301.05627
CH$SMILES: CC(=O)NC(C(O)1)C(O)C(O)C(O1)COP(O)(O)=O
CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1
CH$LINK: CHEBI 15784
CH$LINK: KEGG C00357
CH$LINK: PUBCHEM SID:3650
CH$LINK: INCHIKEY BRGMHAYQAZFZDJ-RTRLPJTCSA-N

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 300
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0002-9000000000-364ae19f8cdb4e2d51ca
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  45.800 29703.0 18
  58.800 19802.0 12
  78.900 757426.5 469
  81.800 9901.0 6
  97.000 1613863.0 999
  138.900 108911.0 67
//