MassBank Record: OUF00001

Home Search Record Index

1,3-Diaminopropane; GC-EI-TOF; MS; n TMS; RT:620.432 sec

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: OUF00001
RECORD_TITLE: 1,3-Diaminopropane; GC-EI-TOF; MS; n TMS; RT:620.432 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$NAME: 1,3-Propanediamine
CH$NAME: 1,3-Diaminopropane
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C3H10N2
CH$EXACT_MASS: 74.0844000000000022509993868879973888397216796875
CH$SMILES: NCCCN
CH$IUPAC: InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
CH$LINK: CAS 109-76-2
CH$LINK: CHEBI 15725
CH$LINK: CHEMSPIDER 415
CH$LINK: COMPTOX DTXSID1021906
CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N
CH$LINK: KEGG C00986
CH$LINK: PUBCHEM 428

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$CHROMATOGRAPHY: RETENTION_INDEX 1641.217
AC$CHROMATOGRAPHY: RETENTION_TIME 620.432 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-00di-1900000000-380b075ca78246d55dc0
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  85 25 25
  86 645 645
  87 69 69
  88 42 42
  89 3 3
  97 2 2
  98 14 14
  99 11 11
  100 333 333
  101 55 55
  102 55 55
  103 14 14
  104 1 1
  106 1 1
  112 28 28
  113 24 24
  114 50 50
  115 30 30
  116 65 65
  117 56 56
  118 10 10
  119 5 5
  126 6 6
  127 8 8
  128 83 83
  129 54 54
  130 233 233
  131 64 64
  132 43 43
  133 4 4
  134 1 1
  136 1 1
  142 3 3
  143 1 1
  144 21 21
  145 6 6
  146 82 82
  147 14 14
  148 4 4
  156 8 8
  157 2 2
  158 41 41
  159 8 8
  160 501 501
  161 92 92
  162 47 47
  163 1 1
  170 22 22
  171 10 10
  172 565 565
  173 149 149
  174 999 999
  175 191 191
  176 84 84
  177 9 9
  184 1 1
  185 7 7
  186 158 158
  187 43 43
  188 33 33
  189 4 4
  190 1 1
  200 1 1
  201 337 337
  202 78 78
  203 36 36
  204 6 6
  215 1 1
  216 3 3
  259 11 11
  275 1 1
  347 1 1
  404 1 1
//