MassBank Record: KO001716



 Pyrrole 2-carboxylic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001716
RECORD_TITLE: Pyrrole 2-carboxylic acid; 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 P112

CH$NAME: Pyrrole 2-carboxylate CH$NAME: Pyrrole-2-carboxylate CH$NAME: Pyrrole 2-carboxylic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H5NO2 CH$EXACT_MASS: 111.03203 CH$SMILES: C1=CNC(=C1)C(=O)O CH$IUPAC: InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8) CH$LINK: KEGG C05942 CH$LINK: PUBCHEM SID:8227
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 110 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-9000000000-bd5aa8d6918fc5699127 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 46.100 89109.0 12 62.600 19802.0 3 66.200 7193076.5 999 78.900 39604.0 6 79.200 24752.5 3 80.000 39604.0 6 81.300 44554.5 6 110.000 782179.0 109 //