MassBank Record: KO002279

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N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO002279
RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQ; MS2; CE:20 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$LINK: COMPTOX DTXSID00179902
CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N
CH$LINK: KEGG C04501
CH$LINK: PUBCHEM SID:7115

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 20 V

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

PK$SPLASH: splash10-0hn0-6940000000-f19321b5e3a4852474a2
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  50.0 54455.5 125.0
  54.0 34653.5 79.0
  57.2 94059.5 216.0
  68.0 371288.0 851.0
  71.1 435644.0 999.0
  77.2 24752.5 57.0
  85.0 188119.0 431.0
  86.2 118812.0 272.0
  99.2 19802.0 45.0
  105.8 69307.0 159.0
  107.8 14851.5 34.0
  112.1 400990.0 920.0
  124.3 14851.5 34.0
  127.0 103960.0 238.0
  129.4 24752.5 57.0
  131.4 14851.5 34.0
  138.1 188119.0 431.0
  141.0 54455.5 125.0
  143.3 24752.5 57.0
  145.2 69307.0 159.0
  151.2 49505.0 114.0
  152.5 9901.0 23.0
  159.0 207921.0 477.0
  168.2 311882.0 715.0
  174.2 34653.5 79.0
  181.6 9901.0 23.0
  186.3 173268.0 397.0
  204.1 420792.0 965.0
  207.0 24752.5 57.0
  217.1 59406.0 136.0
  244.1 39604.0 91.0
  252.9 19802.0 45.0
  266.0 153466.0 352.0
  267.1 44554.5 102.0
  285.4 178218.0 409.0
  302.8 84158.5 193.0
//