MassBank Record: KO001196



 Isatin; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001196
RECORD_TITLE: Isatin; LC-ESI-QQ; MS2; CE:10 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 I019

CH$NAME: Isatin CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H5NO2 CH$EXACT_MASS: 147.03203 CH$SMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2 CH$IUPAC: InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11) CH$LINK: CAS 91-56-5 CH$LINK: CHEBI 27539 CH$LINK: CHEMPDB ISN CH$LINK: KEGG C11129 CH$LINK: NIKKAJI J4.342G CH$LINK: PUBCHEM SID:13311
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 146 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0900000000-b7740f917ea3a513cccf PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 41.700 29703.0 1 92.100 34653.5 1 117.900 22425765.0 51 144.600 168317.0 1 145.700 78099088.0 177 146.100 441188560.0 999 //