MassBank Record: KZ000181



 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: KZ000181
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_P000112

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 1810.4 AC$CHROMATOGRAPHY: RETENTION_TIME 840.713 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0fki-2910000000-12bd38ce6e25c61b8e60 PK$NUM_PEAK: 194 PK$PEAK: m/z int. rel.int. 82 65 65 83 16 16 84 140 140 85 57 57 86 900 900 87 106 106 88 54 54 89 499 499 90 45 45 91 30 30 92 4 4 93 9 9 94 6 6 95 6 6 96 7 7 97 10 10 98 28 28 99 44 44 100 561 561 101 188 188 102 241 241 103 50 50 104 17 17 105 9 9 106 2 2 107 1 1 108 1 1 109 2 2 110 13 13 111 26 26 112 56 56 113 44 44 114 62 62 115 42 42 116 99 99 117 149 149 118 39 39 119 20 20 120 3 3 121 2 2 122 1 1 123 2 2 124 10 10 125 16 16 126 24 24 127 26 26 128 69 69 129 83 83 130 188 188 131 75 75 132 35 35 133 92 92 134 15 15 135 8 8 136 2 2 137 2 2 138 2 2 139 29 29 140 52 52 141 19 19 142 20 20 143 12 12 144 70 70 145 16 16 146 49 49 147 242 242 148 42 42 149 23 23 150 3 3 151 5 5 152 4 4 153 5 5 154 10 10 155 7 7 156 271 271 157 43 43 158 110 110 159 27 27 160 38 38 161 8 8 162 3 3 163 20 20 164 3 3 165 2 2 166 2 2 167 41 41 168 11 11 169 7 7 170 13 13 171 16 16 172 578 578 173 196 196 174 999 999 175 197 197 176 84 84 177 11 11 178 2 2 179 1 1 180 1 1 181 4 4 182 3 3 183 42 42 184 11 11 185 71 71 186 34 34 187 48 48 188 12 12 189 11 11 190 9 9 191 6 6 192 1 1 195 1 1 196 2 2 197 50 50 198 17 17 199 324 324 200 68 68 201 31 31 202 15 15 203 3 3 204 4 4 205 1 1 211 7 7 212 77 77 213 78 78 214 66 66 215 22 22 216 8 8 217 14 14 218 4 4 219 1 1 223 2 2 225 5 5 226 4 4 227 9 9 228 8 8 229 4 4 230 15 15 231 5 5 232 2 2 239 53 53 240 18 18 241 22 22 242 9 9 243 8 8 244 137 137 245 32 32 246 42 42 247 8 8 248 5 5 249 1 1 254 1 1 255 21 21 256 6 6 257 16 16 258 4 4 259 2 2 260 1 1 269 1 1 270 1 1 271 1 1 272 1 1 273 18 18 274 5 5 275 2 2 276 1 1 285 10 10 286 4 4 287 8 8 288 2 2 289 2 2 290 1 1 301 1 1 302 1 1 303 1 1 313 2 2 314 1 1 328 5 5 329 128 128 330 180 180 331 74 74 332 30 30 333 7 7 334 2 2 344 8 8 345 125 125 346 41 41 347 19 19 348 4 4 349 1 1 360 1 1 361 21 21 362 7 7 363 3 3 //

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