MassBank Record: MSBNK-Keio_Univ-KO001803
ACCESSION: MSBNK-Keio_Univ-KO001803
RECORD_TITLE: Succinimide; 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 S015
CH$NAME: Succinimide
CH$NAME: Butanimide
CH$NAME: 2,5-Pyrrolidinedione
CH$NAME: 2,5-Diketopyrrolidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H5NO2
CH$EXACT_MASS: 99.03203
CH$SMILES: O=C(C1)NC(=O)C1
CH$IUPAC: InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)
CH$LINK: CAS
123-56-8
CH$LINK: CHEBI
9307
CH$LINK: KEGG
C07273
CH$LINK: NIKKAJI
J25.395B
CH$LINK: PUBCHEM
SID:9482
CH$LINK: INCHIKEY
KZNICNPSHKQLFF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8051629
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 98
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9000000000-fd1035e37d1cc077b72a
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
42.100 212871.5 33
69.700 59406.0 9
97.900 6415848.0 999
//