MassBank Record: PR010217



 5-Aminolevulinic acid; GC-EI-TOF; MS; 3 TMS; 1 MEOX; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010217
RECORD_TITLE: 5-Aminolevulinic acid; GC-EI-TOF; MS; 3 TMS; 1 MEOX; BP:73
DATE: 2016.01.19 (2006.12.21, 2011.05.06)
AUTHORS: Kusano MPlant Science Center, RIKEN., Fukushima APlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: delta-Aminolevulinic acid CH$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 5451-09-2 CH$LINK: NIKKAJI J257.039D CH$LINK: INCHIKEY ZGXJTSGNIOSYLO-UHFFFAOYSA-N
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$CHROMATOGRAPHY: RETENTION_INDEX 1778.9 AC$CHROMATOGRAPHY: RETENTION_TIME 469.293 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C15H36N2O3Si3 MS$FOCUSED_ION: DERIVATIVE_MASS 376.20337 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS; 1 MEOX MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9600000000-d0a9f31de64870117dfe PK$NUM_PEAK: 141 PK$PEAK: m/z int. rel.int. 60 38 38 61 42 42 62 3 3 63 1 1 66 2 2 67 2 2 68 1 1 69 2 2 70 15 15 71 8 8 72 30 30 73 999 999 74 103 103 75 299 299 76 27 27 77 27 27 78 1 1 79 1 1 82 10 10 83 3 3 84 21 21 85 10 10 86 377 377 87 39 39 88 17 17 89 143 143 90 12 12 91 6 6 93 1 1 94 1 1 95 1 1 97 2 2 98 5 5 99 6 6 100 141 141 101 32 32 102 45 45 103 11 11 104 3 3 105 2 2 109 1 1 110 2 2 111 2 2 112 6 6 113 7 7 114 7 7 115 7 7 116 17 17 117 23 23 118 5 5 119 3 3 124 1 1 125 2 2 126 5 5 127 2 2 128 8 8 129 35 35 130 36 36 131 13 13 132 7 7 133 12 12 134 2 2 135 1 1 139 2 2 140 5 5 141 2 2 142 2 2 143 3 3 144 10 10 145 3 3 146 13 13 147 23 23 148 5 5 149 2 2 152 1 1 154 2 2 155 1 1 156 55 55 157 7 7 158 11 11 159 3 3 160 32 32 161 6 6 162 2 2 163 2 2 167 6 6 168 2 2 169 1 1 170 1 1 171 1 1 172 18 18 173 5 5 174 609 609 175 112 112 176 55 55 177 7 7 178 1 1 182 1 1 183 5 5 184 1 1 185 1 1 186 1 1 187 1 1 188 1 1 189 1 1 190 54 54 191 13 13 192 6 6 193 1 1 197 1 1 198 1 1 199 5 5 200 2 2 201 1 1 202 1 1 204 1 1 212 1 1 213 2 2 214 1 1 227 1 1 228 2 2 231 1 1 239 1 1 240 1 1 241 2 2 244 3 3 246 3 3 248 1 1 255 2 2 257 2 2 329 1 1 330 2 2 331 1 1 344 3 3 345 37 37 346 14 14 347 6 6 348 1 1 361 7 7 362 2 2 363 1 1 //