MassBank Record: JP001835



 1,4-BUTANEDIOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001835
RECORD_TITLE: 1,4-BUTANEDIOL; 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$NAME: 1,4-BUTANEDIOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H10O2 CH$EXACT_MASS: 90.06808 CH$SMILES: OCCCCO CH$IUPAC: InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
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$SPLASH: splash10-0006-9000000000-1c3e5028147c04eef039 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 27 8.97 90 29 10.65 107 30 2.1 21 31 54.53 545 39 9.31 93 40 5.12 51 41 37.5 375 42 99.99 999 43 21.81 218 44 67.03 670 45 4.03 40 55 2.52 25 57 6.8 68 60 1.17 12 71 4.03 40 //