MassBank Record: KO003197



 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: KO003197
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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 148 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001j-0900000000-6129e468197154787423 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 68.900 29703.0 14 69.200 49505.0 24 71.100 24752.5 12 79.900 44554.5 22 85.100 49505.0 24 88.300 89109.0 43 88.800 14851.5 7 95.000 34653.5 17 99.000 193069.5 94 101.600 79208.0 38 102.400 29703.0 14 113.000 767327.5 372 116.200 262376.5 127 129.800 108911.0 53 131.200 2059408.0 999 148.000 1579209.5 766 //