MassBank Record: KO001625



 Propiolic acid; 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: KO001625
RECORD_TITLE: Propiolic acid; 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 P040

CH$NAME: Propiolate CH$NAME: Acetylenemonocarboxylate CH$NAME: Propiolic acid CH$NAME: Propynoate CH$NAME: Acetylenecarboxylic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H2O2 CH$EXACT_MASS: 70.00548 CH$SMILES: C#CC(O)=O CH$IUPAC: InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5) CH$LINK: CAS 471-25-0 CH$LINK: CHEBI 15364 CH$LINK: KEGG C00804 CH$LINK: NIKKAJI J5.941B CH$LINK: PUBCHEM SID:4062
AC$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$FOCUSED_ION: PRECURSOR_M/Z 69 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-9000000000-f647da344adbdf7bfb1b PK$NUM_PEAK: 1 PK$PEAK: m/z int. rel.int. 69.000 1618813.5 999 //