ACCESSION: MSBNK-Keio_Univ-KO003482
RECORD_TITLE: Mannosamine; LC-ESI-QQ; MS2; CE:10 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 M081

CH$NAME: Mannosamine
CH$NAME: D-Mannosamine
CH$NAME: 2-Amino-2-deoxy-D-mannose
CH$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$LINK: CAS 14307-02-9
CH$LINK: CHEBI 27503
CH$LINK: KEGG C03570
CH$LINK: NIKKAJI J133.219H
CH$LINK: PUBCHEM SID:6362
CH$LINK: INCHIKEY MSWZFWKMSRAUBD-CBPJZXOFSA-N

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 10 V

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

PK$SPLASH: splash10-03di-1900000000-b7d5b9a0a4fd35762a08
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  35.800 44554.5 1
  46.200 1282179.5 32
  54.200 5618817.5 141
  59.100 44554.5 1
  71.500 34653.5 1
  72.000 1480199.5 37
  72.900 29703.0 1
  76.100 133663.5 3
  78.200 64356.5 2
  79.900 227723.0 6
  83.400 59406.0 1
  84.300 69307.0 2
  87.200 212871.5 5
  89.300 836634.5 21
  90.000 529703.5 13
  90.900 143564.5 4
  94.200 99010.0 2
  99.200 44554.5 1
  100.400 29703.0 1
  101.000 628713.5 16
  102.100 34653.5 1
  103.200 49505.0 1
  106.300 44554.5 1
  106.900 2940597.0 74
  108.200 183168.5 5
  112.300 762377.0 19
  112.900 44554.5 1
  115.900 198020.0 5
  116.900 277228.0 7
  118.100 821783.0 21
  118.600 128713.0 3
  120.200 193069.5 5
  129.200 19802.0 1
  130.100 34653.5 1
  131.200 247525.0 6
  134.800 29703.0 1
  144.300 148515.0 4
  145.300 277228.0 7
  145.900 59406.0 1
  148.200 569307.5 14
  162.300 4658420.5 117
  163.300 39925782.5 999
  180.200 9475257.0 237
//