MassBank Record: PR010021



 D-(+)-Galactosamine; GC-EI-TOF; MS; 5 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010021
RECORD_TITLE: D-(+)-Galactosamine; GC-EI-TOF; MS; 5 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: D-Galactosamine CH$NAME: D-(+)-Galactosamine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H13NO5 CH$EXACT_MASS: 179.07937 CH$SMILES: OC[C@@H](O1)[C@H](O)[C@H](O)[C@@H](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 1772-03-8 CH$LINK: NIKKAJI J237.701B
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_INDEX 1931.2 AC$CHROMATOGRAPHY: RETENTION_TIME 469.594 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C21H53NO5Si5 MS$FOCUSED_ION: DERIVATIVE_MASS 539.27701 MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9820000000-7cb80d10f2274d9860dc PK$NUM_PEAK: 160 PK$PEAK: m/z int. rel.int. 60 5 5 61 5 5 66 4 4 67 2 2 69 2 2 70 4 4 71 3 3 72 15 15 73 999 999 74 87 87 75 74 74 76 5 5 77 7 7 78 1 1 79 4 4 80 1 1 81 2 2 82 1 1 83 11 11 84 9 9 85 3 3 86 9 9 87 6 6 88 3 3 89 51 51 90 5 5 91 2 2 93 1 1 96 1 1 97 1 1 98 2 2 99 3 3 100 28 28 101 24 24 102 23 23 103 105 105 104 10 10 105 21 21 106 2 2 110 2 2 111 1 1 112 1 1 113 5 5 114 2 2 115 4 4 116 6 6 117 56 56 118 7 7 119 5 5 125 1 1 126 2 2 127 6 6 128 10 10 129 87 87 130 17 17 131 17 17 132 6 6 133 31 31 134 4 4 135 2 2 137 1 1 140 1 1 141 6 6 142 6 6 143 9 9 144 5 5 145 2 2 146 5 5 147 172 172 148 28 28 149 16 16 150 2 2 152 1 1 153 1 1 154 1 1 156 1 1 157 48 48 158 8 8 159 303 303 160 41 41 161 13 13 162 2 2 163 3 3 165 1 1 168 4 4 169 1 1 170 1 1 171 1 1 172 4 4 173 2 2 174 1 1 175 2 2 176 1 1 177 2 2 185 1 1 186 1 1 187 1 1 188 2 2 189 11 11 190 4 4 191 4 4 192 1 1 195 1 1 200 2 2 201 20 20 202 6 6 203 11 11 204 15 15 205 122 122 206 24 24 207 11 11 208 1 1 213 1 1 214 2 2 215 3 3 216 9 9 217 44 44 218 9 9 219 5 5 221 2 2 227 1 1 229 15 15 230 4 4 231 6 6 232 9 9 233 4 4 234 2 2 240 4 4 241 2 2 242 2 2 243 2 2 244 2 2 256 1 1 258 1 1 267 1 1 273 13 13 274 3 3 275 1 1 277 2 2 278 1 1 290 1 1 291 3 3 303 3 3 304 3 3 305 3 3 306 1 1 307 3 3 318 1 1 319 61 61 320 19 19 321 9 9 322 1 1 330 1 1 357 1 1 447 2 2 448 1 1 536 1 1 537 4 4 538 3 3 539 1 1 //