MassBank Record: KO000242

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N-Acetyl-D-glucosamine 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO000242
RECORD_TITLE: N-Acetyl-D-glucosamine 6-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 A144

CH$NAME: N-Acetylglucosamine 6-phosphate
CH$NAME: N-Acetyl-D-glucosamine 6-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16NO9P
CH$EXACT_MASS: 301.05626999999998361090547405183315277099609375
CH$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$LINK: INCHIKEY BRGMHAYQAZFZDJ-RTRLPJTCSA-N
CH$LINK: KEGG C00357
CH$LINK: PUBCHEM SID:3650

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 50 V

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

PK$SPLASH: splash10-004j-9000000000-ecee6a11feb4582407b4
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  78.800 1099011.0 999
  97.100 925743.5 842
  99.300 19802.0 18
  138.200 29703.0 27
//