ACCESSION: MSBNK-Keio_Univ-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$LINK: KEGG C04501
CH$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 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.
  50.000 54455.5 125
  54.000 34653.5 79
  57.200 94059.5 216
  68.000 371287.5 851
  71.100 435644.0 999
  77.200 24752.5 57
  85.000 188119.0 431
  86.200 118812.0 272
  99.200 19802.0 45
  105.800 69307.0 159
  107.800 14851.5 34
  112.100 400990.5 920
  124.300 14851.5 34
  127.000 103960.5 238
  129.400 24752.5 57
  131.400 14851.5 34
  138.100 188119.0 431
  141.000 54455.5 125
  143.300 24752.5 57
  145.200 69307.0 159
  151.200 49505.0 114
  152.500 9901.0 23
  159.000 207921.0 477
  168.200 311881.5 715
  174.200 34653.5 79
  181.600 9901.0 23
  186.300 173267.5 397
  204.100 420792.5 965
  207.000 24752.5 57
  217.100 59406.0 136
  244.100 39604.0 91
  252.900 19802.0 45
  266.000 153465.5 352
  267.100 44554.5 102
  285.400 178218.0 409
  302.800 84158.5 193
//