MassBank Record: KO002272



 N8-Acetylspermidine; 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: KO002272
RECORD_TITLE: N8-Acetylspermidine; 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 A112

CH$NAME: N8-Acetylspermidine CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H21N3O CH$EXACT_MASS: 187.16846 CH$SMILES: NCCCNCCCCNC(C)=O CH$IUPAC: InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13) CH$LINK: CAS 34450-15-2 CH$LINK: KEGG C01029 CH$LINK: PUBCHEM SID:4273
AC$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$FOCUSED_ION: PRECURSOR_M/Z 188 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0089-9000000000-b18801afe8921946e40f PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 30.100 346535.0 11 39.100 54455.5 2 40.900 584159.0 19 42.200 603961.0 20 43.000 1876239.5 62 44.100 153465.5 5 55.200 3811885.0 125 56.100 460396.5 15 58.300 10608921.5 349 60.200 1480199.5 49 67.100 183168.5 6 68.200 108911.0 4 69.300 143564.5 5 70.200 3232676.5 106 72.000 20302000.5 668 79.000 39604.0 1 82.100 886139.5 29 82.900 54455.5 2 84.300 30356466.0 999 87.000 14851.5 1 90.600 19802.0 1 96.100 69307.0 2 97.100 64356.5 2 98.100 59406.0 2 112.400 658416.5 22 114.400 752476.0 25 //