ACCESSION: MSBNK-Keio_Univ-KO002494
RECORD_TITLE: Bis(3-Aminopropyl)amine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID B040

CH$NAME: Bis(3-Aminopropyl)amine
CH$NAME: 3,3'-Iminobispropylamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₇N₃
CH$EXACT_MASS: 131.14225
CH$SMILES: NCCCNCCCN
CH$IUPAC: InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
CH$LINK: CAS 56-18-8
CH$LINK: CHEBI 16841
CH$LINK: KEGG C03375
CH$LINK: NIKKAJI J9.891D
CH$LINK: PUBCHEM SID:6210
CH$LINK: INCHIKEY OTBHHUPVCYLGQO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0025440

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 132
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00kb-9400000000-5532ea2874d7f8cf6c6b
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  41.100 34653.5 2
  43.800 54455.5 4
  49.900 14851.5 1
  55.000 346535.0 23
  58.100 3594063.0 234
  59.000 207921.0 14
  69.000 841585.0 55
  69.900 762377.0 50
  71.300 24752.5 2
  71.900 14851.5 1
  73.000 188119.0 12
  73.900 1148516.0 75
  75.100 1400991.5 91
  78.600 14851.5 1
  79.900 19802.0 1
  83.300 74257.5 5
  86.200 386139.0 25
  87.000 133663.5 9
  90.000 19802.0 1
  97.400 811882.0 53
  98.000 15321797.5 999
  100.100 89109.0 6
  113.300 54455.5 4
  114.300 54455.5 4
  115.300 8886147.5 579
  132.200 4712876.0 307
//