ACCESSION: MSBNK-RIKEN-PR010217
RECORD_TITLE: 5-Aminolevulinic acid; GC-EI-TOF; MS; 3 TMS; 1 MEOX; 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$NAME: delta-Aminolevulinic acid
CH$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
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$CHROMATOGRAPHY: RETENTION_INDEX 1778.9
AC$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
//