MassBank Record: MSBNK-Keio_Univ-KO003483
ACCESSION: MSBNK-Keio_Univ-KO003483
RECORD_TITLE: Mannosamine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 180
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0ly9-9700000000-4456d5608f5e2121dc3c
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
36.000 698020.5 134
44.900 772278.0 149
46.200 1638615.5 315
54.200 113861.5 22
55.200 410891.5 79
57.100 673268.0 130
59.000 282178.5 54
59.800 84158.5 16
61.200 34653.5 7
62.900 94059.5 18
66.800 9901.0 2
68.200 24752.5 5
68.900 44554.5 9
71.100 49505.0 10
72.100 905941.5 174
73.300 138614.0 27
73.600 34653.5 7
80.000 39604.0 8
82.900 500000.5 96
84.200 698020.5 134
85.200 277228.0 53
86.300 44554.5 9
86.800 217822.0 42
89.100 5193074.5 999
90.200 331683.5 64
91.100 123762.5 24
95.800 44554.5 9
96.100 64356.5 12
97.200 99010.0 19
98.000 193069.5 37
99.000 74257.5 14
101.200 3237627.0 623
101.900 49505.0 10
102.900 84158.5 16
106.800 3465350.0 667
108.700 29703.0 6
109.300 79208.0 15
112.200 128713.0 25
113.000 108911.0 21
114.200 138614.0 27
116.200 29703.0 6
117.200 89109.0 17
117.900 103960.5 20
120.200 84158.5 16
126.200 232673.5 45
126.600 99010.0 19
129.700 24752.5 5
130.800 54455.5 10
133.400 29703.0 6
135.100 34653.5 7
144.100 202970.5 39
145.300 257426.0 50
148.000 64356.5 12
162.300 1267328.0 244
163.400 2004952.5 386
180.400 237624.0 46
//