MassBank Record: JP002457



 (4S,5S)-4,5-BIS-(HYDROXYMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002457
RECORD_TITLE: (4S,5S)-4,5-BIS-(HYDROXYMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (4S,5S)-4,5-BIS-(HYDROXYMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H14O4 CH$EXACT_MASS: 162.08921 CH$SMILES: OCC([H])(O1)C([H])(CO)OC(C)(C)1 CH$IUPAC: InChI=1S/C7H14O4/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m0/s1
AC$INSTRUMENT: HITACHI M-52 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0aor-9100000000-929242081123122a212c PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 43 6.8 68 45 1.7 17 59 21.8 218 61 0.53 5 69 15 150 87 4.5 45 113 5.5 55 131 4.96 50 //