MassBank Record: JP001693



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

ACCESSION: JP001693
RECORD_TITLE: PINACOLIN; 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$NAME: PINACOLIN CH$NAME: 3,3-DIMETHYL-2-BUTANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H12O CH$EXACT_MASS: 100.08882 CH$SMILES: CC(=O)C(C)(C)C CH$IUPAC: InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
AC$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-9000000000-41d85a09d1c545d1c0e5 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 15 4.51 45 27 4.89 49 28 2.41 24 29 41.95 420 39 8.12 81 40 1.2 12 41 56.32 563 42 3.46 35 43 32.63 326 55 3.68 37 56 6.62 66 57 99.99 999 58 4.36 44 67 1 10 69 1 10 85 4.59 46 100 16.77 168 101 1.35 14 //