MassBank Record: KO002266



 N1-Acetylspermine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002266
RECORD_TITLE: N1-Acetylspermine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 245 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0il0-5900000000-340f89e5c24ffe902e34 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 42.300 29703.0 1 55.100 94059.5 2 56.900 19802.0 1 58.300 4356440.0 102 68.800 292079.5 7 70.200 846535.5 20 70.900 59406.0 1 72.100 15945560.5 373 79.000 133663.5 3 80.100 138614.0 3 81.300 69307.0 2 82.200 252475.5 6 82.800 94059.5 2 84.200 33049538.0 773 86.300 118812.0 3 92.100 79208.0 2 93.200 94059.5 2 94.200 34653.5 1 96.100 49505.0 1 97.800 113861.5 3 98.200 252475.5 6 99.500 480198.5 11 100.000 37772315.0 884 105.300 19802.0 1 106.000 975248.5 23 108.000 24752.5 1 108.900 138614.0 3 110.400 465347.0 11 111.600 128713.0 3 112.300 42707963.5 999 114.500 49505.0 1 118.200 54455.5 1 120.200 920793.0 22 121.200 1589110.5 37 122.200 49505.0 1 124.000 79208.0 2 127.100 133663.5 3 129.100 1435645.0 34 130.400 29703.0 1 130.900 14851.5 1 142.000 39604.0 1 163.500 59406.0 1 171.300 89109.0 2 173.500 69307.0 2 184.000 14851.5 1 //