ACCESSION: MSBNK-Keio_Univ-KO002496
RECORD_TITLE: Bis(3-Aminopropyl)amine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-05fr-9000000000-a67dcf5d82b9e101ede8
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  38.800 14851.5 5
  40.900 217822.0 76
  41.900 94059.5 33
  43.000 118812.0 42
  44.100 910892.0 319
  55.100 138614.0 48
  58.200 2064358.5 722
  69.100 74257.5 26
  70.000 2856438.5 999
  72.900 29703.0 10
  74.000 34653.5 12
  98.100 618812.5 216
//