ACCESSION: MSBNK-RIKEN-PR010224
RECORD_TITLE: N-Acetylputrescine; GC-EI-TOF; MS; 2 TMS; 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$NAME: N-acetyl putrescine
CH$NAME: N-Acetylputrescine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₄N₂O
CH$EXACT_MASS: 130.11061
CH$SMILES: NCCCCNC(C)=O
CH$IUPAC: InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)
CH$LINK: CAS 18233-70-0
CH$LINK: CHEBI 17768
CH$LINK: KEGG C02714
CH$LINK: PUBCHEM 5677
CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80205596

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$CHROMATOGRAPHY: RETENTION_INDEX 1755.6
AC$CHROMATOGRAPHY: RETENTION_TIME 464.103 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C12H30N2OSi2
MS$FOCUSED_ION: DERIVATIVE_MASS 274.18967
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9700000000-f5b3a7431b349387eaf4
PK$NUM_PEAK: 219
PK$PEAK: m/z int. rel.int.
  60 39 39
  61 21 21
  62 2 2
  65 1 1
  66 4 4
  67 3 3
  68 4 4
  69 3 3
  70 184 184
  71 24 24
  72 63 63
  73 999 999
  74 118 118
  75 71 71
  76 8 8
  77 10 10
  78 3 3
  79 34 34
  80 3 3
  81 1 1
  82 7 7
  83 6 6
  84 196 196
  85 33 33
  86 382 382
  87 50 50
  88 24 24
  89 5 5
  90 2 2
  91 2 2
  92 1 1
  94 2 2
  95 1 1
  96 18 18
  97 5 5
  98 17 17
  99 19 19
  100 223 223
  101 37 37
  102 40 40
  103 9 9
  104 4 4
  105 2 2
  106 1 1
  107 1 1
  108 1 1
  109 1 1
  110 5 5
  111 4 4
  112 44 44
  113 16 16
  114 20 20
  115 18 18
  116 42 42
  117 28 28
  118 8 8
  119 5 5
  120 1 1
  121 1 1
  122 11 11
  123 1 1
  124 2 2
  125 2 2
  126 7 7
  127 2 2
  128 24 24
  129 14 14
  130 70 70
  131 32 32
  132 27 27
  133 17 17
  134 4 4
  135 3 3
  137 1 1
  138 1 1
  139 1 1
  140 3 3
  141 5 5
  142 43 43
  143 10 10
  144 29 29
  145 14 14
  146 34 34
  147 74 74
  148 16 16
  149 8 8
  150 2 2
  151 1 1
  152 1 1
  153 1 1
  154 1 1
  155 1 1
  156 4 4
  157 2 2
  158 12 12
  159 4 4
  160 3 3
  161 2 2
  162 1 1
  163 1 1
  164 1 1
  166 1 1
  167 1 1
  168 2 2
  169 3 3
  170 7 7
  171 5 5
  172 19 19
  173 36 36
  174 702 702
  175 130 130
  176 72 72
  177 10 10
  178 3 3
  179 1 1
  180 1 1
  181 1 1
  183 1 1
  184 2 2
  185 3 3
  186 5 5
  187 2 2
  188 1 1
  189 1 1
  190 1 1
  191 1 1
  192 1 1
  195 1 1
  196 1 1
  197 1 1
  199 2 2
  200 3 3
  201 41 41
  202 9 9
  203 2 2
  204 1 1
  209 1 1
  214 1 1
  215 1 1
  216 4 4
  217 1 1
  218 5 5
  219 2 2
  220 1 1
  227 1 1
  229 1 1
  236 1 1
  240 1 1
  243 2 2
  248 1 1
  250 1 1
  252 1 1
  259 25 25
  260 6 6
  261 2 2
  262 1 1
  263 1 1
  264 1 1
  265 1 1
  271 1 1
  274 3 3
  275 1 1
  276 1 1
  282 1 1
  299 1 1
  302 1 1
  308 1 1
  311 1 1
  340 1 1
  344 1 1
  352 1 1
  360 1 1
  365 1 1
  367 1 1
  377 1 1
  388 1 1
  390 1 1
  392 1 1
  393 1 1
  395 1 1
  398 1 1
  399 1 1
  404 1 1
  408 1 1
  423 1 1
  485 1 1
  486 1 1
  497 1 1
  503 1 1
  510 1 1
  516 1 1
  547 1 1
  552 1 1
  559 1 1
  564 1 1
  574 1 1
  583 1 1
  585 1 1
  590 1 1
  594 1 1
  600 1 1
  656 1 1
  658 1 1
  663 1 1
  667 1 1
  669 1 1
  672 1 1
  676 1 1
  681 1 1
  685 1 1
  687 1 1
  688 1 1
  693 1 1
  695 1 1
  696 1 1
  730 1 1
  734 1 1
  770 1 1
  793 1 1
//