ACCESSION: MSBNK-Osaka_Univ-OUF00431
RECORD_TITLE: Putrescine; GC-EI-TOF; MS; n TMS; RT:662.294 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: Putrescine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₁₂N₂
CH$EXACT_MASS: 88.10005
CH$SMILES: NCCCCN
CH$IUPAC: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
CH$LINK: CAS 110-60-1
CH$LINK: CHEBI 17148
CH$LINK: CHEMSPIDER 13837702
CH$LINK: INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4041107

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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1734.062
AC$CHROMATOGRAPHY: RETENTION_TIME 662.294 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-00di-1900000000-eeb4354250406805ebe6
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
  85 13 13
  86 213 213
  87 24 24
  88 11 11
  89 1 1
  96 1 1
  97 3 3
  98 10 10
  99 33 33
  100 106 106
  101 19 19
  102 18 18
  103 4 4
  104 1 1
  110 7 7
  111 1 1
  112 12 12
  113 8 8
  114 24 24
  115 15 15
  116 24 24
  117 19 19
  118 5 5
  119 1 1
  124 2 2
  125 2 2
  126 30 30
  127 5 5
  128 18 18
  129 7 7
  130 64 64
  131 29 29
  132 15 15
  133 3 3
  139 1 1
  140 10 10
  141 2 2
  142 34 34
  143 6 6
  144 9 9
  145 3 3
  146 37 37
  147 6 6
  148 2 2
  156 4 4
  157 1 1
  158 10 10
  159 2 2
  160 6 6
  161 5 5
  162 1 1
  170 4 4
  171 2 2
  172 60 60
  173 16 16
  174 999 999
  175 175 175
  176 78 78
  177 9 9
  178 2 2
  184 2 2
  185 1 1
  186 6 6
  187 14 14
  188 7 7
  189 2 2
  190 1 1
  198 2 2
  199 4 4
  200 50 50
  201 11 11
  202 5 5
  203 1 1
  213 2 2
  214 68 68
  215 16 16
  216 7 7
  217 1 1
  218 1 1
  228 2 2
  361 9 9
  362 4 4
  363 2 2
  376 6 6
  377 3 3
  378 1 1
//