MassBank Record: KZ000182



 5-Aminolevulinic acid; GC-EI-TOF; MS; 3 TMS; BP:174 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000182
RECORD_TITLE: 5-Aminolevulinic acid; GC-EI-TOF; MS; 3 TMS; BP:174
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_01717_P000114

CH$NAME: 5-Aminolevulinic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H9NO3 CH$EXACT_MASS: 131.05824 CH$SMILES: NCC(=O)CCC(O)=O CH$IUPAC: InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9) CH$LINK: CAS 106-60-5 CH$LINK: KEGG C00430 CH$LINK: INCHIKEY ZGXJTSGNIOSYLO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8048490
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 1858.7 AC$CHROMATOGRAPHY: RETENTION_TIME 861.313 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00dr-4900000000-c11a861a1638dd2c20d8 PK$NUM_PEAK: 145 PK$PEAK: m/z int. rel.int. 82 13 13 83 5 5 84 45 45 85 20 20 86 710 710 87 72 72 88 33 33 89 264 264 90 23 23 91 12 12 92 1 1 93 3 3 94 2 2 95 3 3 96 1 1 97 2 2 98 7 7 99 11 11 100 280 280 101 68 68 102 87 87 103 19 19 104 5 5 105 4 4 106 1 1 109 1 1 110 3 3 111 4 4 112 10 10 113 12 12 114 13 13 115 12 12 116 31 31 117 42 42 118 9 9 119 5 5 120 1 1 124 1 1 125 4 4 126 10 10 127 4 4 128 15 15 129 67 67 130 68 68 131 26 26 132 11 11 133 23 23 134 4 4 135 2 2 139 3 3 140 9 9 141 3 3 142 4 4 143 6 6 144 15 15 145 4 4 146 25 25 147 45 45 148 9 9 149 5 5 150 1 1 151 1 1 152 2 2 153 2 2 154 3 3 155 2 2 156 83 83 157 12 12 158 17 17 159 4 4 160 48 48 161 9 9 162 4 4 163 2 2 166 1 1 167 9 9 168 3 3 169 1 1 170 2 2 171 2 2 172 32 32 173 8 8 174 999 999 175 195 195 176 87 87 177 10 10 178 2 2 181 1 1 182 1 1 183 13 13 184 3 3 185 3 3 186 2 2 187 1 1 188 2 2 189 1 1 190 94 94 191 22 22 192 9 9 193 1 1 197 2 2 198 2 2 199 8 8 200 4 4 201 1 1 202 1 1 204 1 1 212 2 2 213 4 4 214 2 2 215 1 1 217 1 1 227 2 2 228 3 3 229 1 1 230 1 1 231 2 2 239 3 3 240 2 2 241 5 5 242 2 2 243 1 1 244 5 5 245 1 1 246 6 6 247 1 1 248 1 1 255 5 5 256 2 2 257 3 3 258 1 1 287 1 1 329 2 2 330 3 3 331 2 2 332 1 1 344 5 5 345 60 60 346 21 21 347 9 9 348 2 2 360 1 1 361 10 10 362 3 3 363 1 1 //

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