MassBank Record: JP001837



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

ACCESSION: JP001837
RECORD_TITLE: 1,3-PROPANEDIOL; 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$NAME: 1,3-PROPANEDIOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H8O2 CH$EXACT_MASS: 76.05243 CH$SMILES: OCCCO CH$IUPAC: InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
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$SPLASH: splash10-057i-9000000000-8a78b7d323abef680fac PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 14 2.69 27 15 9.27 93 19 19.49 195 26 8.47 85 27 35.75 358 28 99.99 999 29 47.98 480 30 16.53 165 31 90.05 901 39 6.72 67 40 4.03 40 41 11.69 117 42 5.65 57 43 18.68 187 44 5.51 55 45 19.09 191 46 9.41 94 47 3.63 36 53 3.09 31 55 4.97 50 56 4.17 42 57 57.26 573 58 51.48 515 59 4.03 40 //