MassBank Record: JP001813



 3-METHYL-1-BUTANOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001813
RECORD_TITLE: 3-METHYL-1-BUTANOL; 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$NAME: 3-METHYL-1-BUTANOL CH$NAME: ISOPENTYL ALCOHOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H12O CH$EXACT_MASS: 88.08882 CH$SMILES: OCCC(C)C CH$IUPAC: InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
AC$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: splash10-052f-9000000000-8f690089412de62c1345 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 15 1.12 11 19 1.23 12 27 20.33 203 28 10.01 100 29 40.65 407 31 32.79 328 39 18.39 184 40 2.96 30 41 72.83 728 42 80.59 806 43 64.35 644 44 3.98 40 45 16.14 161 46 6.64 66 53 2.66 27 55 99.99 999 56 35.75 358 57 52.6 526 58 2.35 24 69 5.11 51 70 74.16 742 71 6.74 67 //