MassBank Record: MSBNK-Keio_Univ-KO002264
ACCESSION: MSBNK-Keio_Univ-KO002264
RECORD_TITLE: N1-Acetylspermine; LC-ESI-QQ; MS2; CE:20 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
CH$LINK: INCHIKEY
GUNURVWAJRRUAV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40180274
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 245
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00ba-0920000000-661cc70e5955c3a4423e
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
54.900 9901.0 1
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104.900 44554.5 1
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129.200 89534743.0 999
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//