MassBank Record: MSBNK-Keio_Univ-KO002152
ACCESSION: MSBNK-Keio_Univ-KO002152
RECORD_TITLE: N-Acetylputrescine; 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 A051
CH$NAME: N-Acetylputrescine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14N2O
CH$EXACT_MASS: 130.11061
CH$SMILES: NCCCCNC(C)=O
CH$IUPAC: InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)
CH$LINK: CAS
18233-70-0
CH$LINK: CHEBI
17768
CH$LINK: KEGG
C02714
CH$LINK: PUBCHEM
SID:5677
CH$LINK: INCHIKEY
KLZGKIDSEJWEDW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80205596
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 131
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00dl-9000000000-6822cd785ae4293a429c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
29.000 54455.5 16
30.100 306931.0 92
39.000 79208.0 24
40.800 39604.0 12
42.400 64356.5 19
43.200 2034655.5 608
44.200 257426.0 77
53.100 44554.5 13
55.200 559406.5 167
60.200 89109.0 27
68.300 19802.0 6
70.400 14851.5 4
72.100 3341587.5 999
76.600 44554.5 13
//
system version 2.2.8-SNAPSHOT