MassBank Record: KZ000046



 L-Histidinol; GC-EI-TOF; MS; 3 TMS; BP:154 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000046
RECORD_TITLE: L-Histidinol; GC-EI-TOF; MS; 3 TMS; BP:154
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01561_P000168

CH$NAME: L-Histidinol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H11N3O CH$EXACT_MASS: 141.09021 CH$SMILES: C1=C(NC=N1)C[C@@H](CO)N CH$IUPAC: InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 CH$LINK: KEGG C00860 CH$LINK: INCHIKEY ZQISRDCJNBUVMM-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50863460
AC$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: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1977.0 AC$CHROMATOGRAPHY: RETENTION_TIME 915.025 sec
MS$FOCUSED_ION: BASE_PEAK 154 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0udi-1970000000-5f8fce52ae008e9577d3 PK$NUM_PEAK: 162 PK$PEAK: m/z int. rel.int. 82 110 110 83 40 40 84 56 56 85 28 28 86 23 23 87 12 12 88 40 40 89 27 27 90 5 5 91 2 2 92 4 4 93 3 3 94 3 3 95 12 12 96 12 12 97 11 11 98 32 32 99 10 10 100 129 129 101 18 18 102 15 15 103 18 18 104 3 3 105 4 4 106 1 1 107 8 8 108 2 2 109 5 5 110 15 15 111 13 13 112 40 40 113 14 14 114 59 59 115 25 25 116 118 118 117 22 22 118 9 9 119 5 5 120 2 2 121 3 3 122 2 2 123 4 4 124 6 6 125 8 8 126 18 18 127 9 9 128 9 9 129 2 2 130 29 29 131 26 26 132 25 25 133 26 26 134 6 6 135 5 5 136 3 3 137 4 4 138 4 4 139 15 15 140 6 6 141 7 7 142 3 3 143 3 3 144 1 1 145 1 1 146 13 13 147 95 95 148 19 19 149 10 10 150 9 9 151 10 10 152 5 5 153 181 181 154 999 999 155 389 389 156 78 78 157 17 17 158 8 8 159 2 2 160 1 1 161 1 1 162 3 3 163 2 2 164 2 2 165 3 3 166 35 35 167 33 33 168 8 8 169 4 4 170 3 3 171 1 1 172 6 6 173 2 2 174 6 6 175 1 1 176 2 2 178 1 1 179 9 9 180 6 6 181 6 6 182 16 16 183 4 4 184 6 6 185 1 1 186 1 1 187 1 1 188 66 66 189 18 18 190 7 7 191 2 2 193 1 1 194 4 4 195 3 3 196 3 3 197 3 3 198 4 4 199 3 3 200 1 1 202 2 2 203 12 12 204 799 799 205 162 162 206 69 69 207 10 10 208 3 3 209 1 1 210 1 1 211 8 8 212 3 3 213 3 3 214 1 1 222 1 1 223 2 2 224 2 2 225 10 10 226 174 174 227 49 49 228 19 19 229 3 3 237 1 1 238 39 39 239 14 14 240 5 5 241 1 1 250 1 1 251 1 1 252 36 36 253 27 27 254 715 715 255 177 177 256 66 66 257 10 10 258 1 1 266 1 1 267 2 2 268 5 5 269 1 1 326 1 1 341 2 2 342 43 43 343 15 15 344 7 7 345 1 1 //

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