ACCESSION: MSBNK-RIKEN_ReSpect-PT106610
RECORD_TITLE: N'-Monoacetylspermine, N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide, N1-Acetylspermine Trihydrochloride; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: N'-Monoacetylspermine
CH$NAME: N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide
CH$NAME: N1-Acetylspermine Trihydrochloride
CH$COMPOUND_CLASS: CLASS1 Alkaloid CLASS2 Polyamine CLASS3 Spermine
CH$FORMULA: C₁₂H₂₈N₄O
CH$EXACT_MASS: 244.383
CH$SMILES: CC(=O)NCCCNCCCCNCCCN
CH$IUPAC: InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
CH$LINK: CAS 77928-70-2
CH$LINK: INCHIKEY GUNURVWAJRRUAV-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 245.2341

PK$SPLASH: splash10-0wc1-1910000000-df55bc991e81a351aaaa
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  84.0812 123.9 514
  100.076 240.8 999
  112.1128 216.9 900
  129.1395 158.1 656
  171.1502 140.1 581
  245.2341 136.8 568
//