MassBank Record: JP002093



 2-METHYLLACTIC ACID; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002093
RECORD_TITLE: 2-METHYLLACTIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 2-METHYLLACTIC ACID CH$NAME: ALPHA-HYDROXY ISOBUTYRIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H8O3 CH$EXACT_MASS: 104.04734 CH$SMILES: OC(=O)C(C)(C)O CH$IUPAC: InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)
AC$INSTRUMENT: HITACHI RMU-7M AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4l-9000000000-bb87a50521380a4f04c0 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 14 2.06 21 15 10.66 107 26 1.62 16 27 5.88 59 28 3.58 36 29 7.5 75 31 47.72 477 38 1.62 16 39 8.82 88 40 1.76 18 41 25.15 252 42 5.88 59 43 48.75 488 44 3.9 39 45 5.74 57 47 2.65 27 58 1.69 17 59 99.99 999 60 3.9 39 89 1.84 18 //