MassBank Record: KO003200



 Isatin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003200
RECORD_TITLE: Isatin; LC-ESI-QQ; MS2; CE:40 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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 148 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014l-9100000000-0fb3353ec5204cb4b15c PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 42.700 29703.0 400 57.300 34653.5 466 65.300 74257.5 999 66.800 9901.0 133 69.000 39604.0 533 71.100 54455.5 733 77.300 54455.5 733 91.800 39604.0 533 101.900 54455.5 733 //