ACCESSION: MSBNK-Keio_Univ-KO002493
RECORD_TITLE: Bis(3-Aminopropyl)amine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-001i-0900000000-52e20d6ccbdbbadf204a
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  49.900 955446.5 20
  58.300 103960.5 2
  63.900 143564.5 3
  67.600 9901.0 1
  68.900 84158.5 2
  70.700 24752.5 1
  72.200 39604.0 1
  73.900 1915843.5 41
  75.100 282178.5 6
  78.200 158416.0 3
  80.700 103960.5 2
  81.900 222772.5 5
  83.300 198020.0 4
  86.200 613862.0 13
  97.200 435644.0 9
  98.000 945545.5 20
  99.000 34653.5 1
  100.000 316832.0 7
  114.400 113861.5 2
  115.300 9945554.5 212
  132.100 46940641.0 999
//