MassBank Record: KO003199



 Isatin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003199
RECORD_TITLE: Isatin; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 148 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0g5d-9600000000-3abf3b0049a56410c636 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 64.800 29703.0 333 69.100 64356.5 722 70.300 39604.0 444 71.900 39604.0 444 84.800 59406.0 666 87.700 24752.5 278 91.900 89109.0 999 102.300 79208.0 888 112.500 24752.5 278 120.200 39604.0 444 130.400 39604.0 444 148.000 69307.0 777 //