ACCESSION: MSBNK-RIKEN-PR010216
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$CHROMATOGRAPHY: RETENTION_INDEX 1756.2
AC$CHROMATOGRAPHY: RETENTION_TIME 464.244 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$SPLASH: splash10-00di-9500000000-c0d571fa1aa74cf69ea6
PK$NUM_PEAK: 154
PK$PEAK: m/z int. rel.int.
  60 31 31
  61 34 34
  62 2 2
  63 2 2
  65 1 1
  66 3 3
  67 2 2
  69 2 2
  70 15 15
  71 9 9
  72 31 31
  73 999 999
  74 101 101
  75 209 209
  76 20 20
  77 27 27
  78 2 2
  79 7 7
  80 1 1
  81 1 1
  82 15 15
  83 4 4
  84 27 27
  85 12 12
  86 197 197
  87 22 22
  88 12 12
  89 95 95
  90 8 8
  91 6 6
  92 1 1
  93 1 1
  94 1 1
  95 1 1
  96 1 1
  97 1 1
  98 5 5
  99 8 8
  100 105 105
  101 33 33
  102 46 46
  103 9 9
  104 3 3
  105 1 1
  110 2 2
  111 4 4
  112 10 10
  113 8 8
  114 11 11
  115 8 8
  116 19 19
  117 29 29
  118 7 7
  119 4 4
  124 1 1
  125 2 2
  126 4 4
  127 4 4
  128 12 12
  129 16 16
  130 36 36
  131 13 13
  132 6 6
  133 17 17
  134 3 3
  135 1 1
  139 5 5
  140 9 9
  141 3 3
  142 3 3
  143 2 2
  144 13 13
  145 3 3
  146 8 8
  147 41 41
  148 7 7
  149 4 4
  151 1 1
  153 1 1
  154 2 2
  155 1 1
  156 52 52
  157 8 8
  158 24 24
  159 5 5
  160 8 8
  161 2 2
  163 4 4
  167 8 8
  168 2 2
  169 1 1
  170 2 2
  171 3 3
  172 132 132
  173 47 47
  174 229 229
  175 43 43
  176 20 20
  177 2 2
  183 7 7
  184 2 2
  185 14 14
  186 6 6
  187 8 8
  188 2 2
  189 2 2
  190 1 1
  191 1 1
  197 7 7
  198 2 2
  199 48 48
  200 10 10
  201 4 4
  202 2 2
  211 1 1
  212 11 11
  213 12 12
  214 10 10
  215 3 3
  216 1 1
  217 2 2
  227 1 1
  228 1 1
  230 2 2
  231 1 1
  239 8 8
  240 2 2
  241 3 3
  242 1 1
  243 1 1
  244 26 26
  245 6 6
  246 7 7
  247 1 1
  255 3 3
  256 1 1
  257 2 2
  273 3 3
  274 1 1
  285 1 1
  287 1 1
  328 1 1
  329 24 24
  330 33 33
  331 14 14
  332 5 5
  333 1 1
  344 2 2
  345 25 25
  346 8 8
  347 3 3
  348 1 1
  361 4 4
  362 1 1
//