ACCESSION: MSBNK-Keio_Univ-KO003484
RECORD_TITLE: Mannosamine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-052g-9000000000-e7a0619260b5abc9db99
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  36.100 158416.0 87
  40.800 99010.0 55
  43.300 103960.5 57
  43.900 89109.0 49
  44.900 1811883.0 999
  46.100 1168318.0 644
  55.300 465347.0 257
  56.100 59406.0 33
  57.200 1188120.0 655
  58.700 44554.5 25
  59.100 178218.0 98
  60.000 232673.5 128
  61.000 64356.5 35
  63.100 39604.0 22
  66.900 34653.5 19
  69.100 108911.0 60
  70.100 133663.5 74
  71.200 44554.5 25
  72.200 851486.0 469
  72.900 64356.5 35
  74.200 14851.5 8
  79.100 54455.5 30
  80.000 247525.0 136
  80.900 39604.0 22
  83.200 44554.5 25
  84.100 475248.0 262
  85.100 232673.5 128
  87.000 49505.0 27
  89.300 514852.0 284
  90.500 84158.5 46
  95.800 34653.5 19
  96.200 69307.0 38
  97.300 99010.0 55
  97.900 108911.0 60
  100.900 89109.0 49
  102.100 19802.0 11
  106.800 74257.5 41
  109.900 19802.0 11
  113.300 29703.0 16
  114.000 59406.0 33
  117.300 84158.5 46
  120.200 163366.5 90
  120.800 24752.5 14
  126.600 29703.0 16
  130.200 24752.5 14
  145.200 113861.5 63
  152.100 24752.5 14
  152.900 29703.0 16
  162.300 44554.5 25
  163.200 123762.5 68
//