MassBank Record: KO002267



 N1-Acetylspermine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002267
RECORD_TITLE: N1-Acetylspermine; LC-ESI-QQ; MS2; CE:50 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 A111

CH$NAME: N1-Acetylspermine CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H28N4O CH$EXACT_MASS: 244.22631 CH$SMILES: NCCCNCCCCNCCCNC(C)=O CH$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: CHEBI 17312 CH$LINK: KEGG C02567 CH$LINK: PUBCHEM SID:5564
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 245 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9300000000-0ab0b3f7fb3eb674343e PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 30.200 103960.5 3 41.300 39604.0 1 55.200 193069.5 6 56.300 108911.0 3 56.900 54455.5 2 58.300 3435647.0 103 66.900 99010.0 3 67.800 108911.0 3 69.000 188119.0 6 70.200 925743.5 28 72.200 9920802.0 297 79.100 217822.0 7 80.200 158416.0 5 82.400 183168.5 5 84.200 33371320.5 999 91.400 29703.0 1 92.300 99010.0 3 93.300 84158.5 3 96.400 64356.5 2 98.300 217822.0 7 100.200 8594068.0 257 106.200 945545.5 28 109.100 34653.5 1 110.500 193069.5 6 112.200 8628721.5 258 119.200 19802.0 1 120.300 915842.5 27 121.000 212871.5 6 127.300 39604.0 1 129.800 24752.5 1 //