MassBank Record: MSBNK-Keio_Univ-KO002269
ACCESSION: MSBNK-Keio_Univ-KO002269
RECORD_TITLE: N8-Acetylspermidine; 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 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$LINK: PUBCHEM
SID:4273
CH$LINK: INCHIKEY
FONIWJIDLJEJTL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60158637
AC$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$FOCUSED_ION: PRECURSOR_M/Z 188
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01w0-0900000000-e68fd1aa92642ae4208d
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
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//