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MassBank Record: MSBNK-Keio_Univ-KO002995

D-(+)-Glucosamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: MSBNK-Keio_Univ-KO002995
RECORD_TITLE: D-(+)-Glucosamine; 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 G051

CH$NAME: Glucosamine
CH$NAME: D-Glucosamine
CH$NAME: Chitosamine
CH$NAME: 2-Amino-2-deoxy-D-glucose
CH$NAME: D-(+)-Glucosamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13NO5
CH$EXACT_MASS: 179.07937
CH$SMILES: OCC(O1)C(O)C(O)C(N)C(O)1
CH$IUPAC: InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
CH$LINK: CAS 3416-24-8
CH$LINK: CHEBI 17315
CH$LINK: KEGG C00329
CH$LINK: NIKKAJI J10.582A
CH$LINK: PUBCHEM SID:3623
CH$LINK: INCHIKEY MSWZFWKMSRAUBD-QZABAPFNSA-N
CH$LINK: COMPTOX DTXSID4023098

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$FOCUSED_ION: PRECURSOR_M/Z 180
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03l9-9500000000-35d8aa59734319e98c20
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  36.000 188119.0 19
  42.400 14851.5 1
  45.000 732674.0 73
  46.000 3574261.0 357
  54.200 69307.0 7
  55.000 534654.0 53
  56.300 103960.5 10
  57.300 534654.0 53
  58.100 69307.0 7
  59.100 321782.5 32
  60.200 2034655.5 203
  61.200 153465.5 15
  62.900 133663.5 13
  68.000 405941.0 41
  69.200 589109.5 59
  70.100 514852.0 51
  72.000 10004960.5 999
  72.800 242574.5 24
  74.000 64356.5 6
  79.900 301980.5 30
  80.800 301980.5 30
  83.400 688119.5 69
  84.100 9742584.0 973
  85.000 3881192.0 388
  86.000 475248.0 47
  87.000 267327.0 27
  89.200 4445549.0 444
  90.100 485149.0 48
  90.500 74257.5 7
  94.800 29703.0 3
  96.000 1480199.5 148
  97.100 945545.5 94
  98.100 1985150.5 198
  98.800 232673.5 23
  100.000 173267.5 17
  101.100 3103963.5 310
  101.900 995050.5 99
  102.900 282178.5 28
  106.800 3504954.0 350
  108.000 331683.5 33
  109.200 297030.0 30
  113.100 163366.5 16
  114.000 1445546.0 144
  115.100 262376.5 26
  116.300 242574.5 24
  117.300 128713.0 13
  119.800 69307.0 7
  120.500 54455.5 5
  121.400 69307.0 7
  126.000 1910893.0 191
  127.000 965347.5 96
  128.000 202970.5 20
  131.800 108911.0 11
  137.800 34653.5 3
  144.100 3519805.5 351
  145.100 589109.5 59
  145.500 44554.5 4
  162.300 9064365.5 905
  163.200 1772279.0 177
  180.300 410891.5 41
//

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