MassBank Record: JP002456



 (4S,5S)-4,5-BIS(METHOXYMETHYL)-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: JP002456
RECORD_TITLE: (4S,5S)-4,5-BIS(METHOXYMETHYL)-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$NAME: (4S,5S)-4,5-BIS(METHOXYMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H18O4 CH$EXACT_MASS: 190.12051 CH$SMILES: COCC([H])(O1)C([H])(COC)OC(C)(C)1 CH$IUPAC: InChI=1S/C9H18O4/c1-9(2)12-7(5-10-3)8(13-9)6-11-4/h7-8H,5-6H2,1-4H3/t7-,8-/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$SPLASH: splash10-00ov-6900000000-8920d95a5eb2c8ee24f0 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 39 3.2 32 40 2.3 23 41 6.6 66 42 0.32 3 43 57.5 575 44 3.7 37 45 8.7 87 53 0.23 2 55 14.9 149 57 4.6 46 58 17.2 172 59 8.74 87 69 7.1 71 70 1.8 18 71 3.9 39 73 2.18 22 75 3.7 37 83 4.6 46 84 2.3 23 85 2.99 30 86 1.8 18 87 40.2 402 88 1.8 18 95 0.92 9 100 1.8 18 101 1.8 18 113 4.1 41 114 0.23 2 115 62.1 621 116 3.4 34 117 2.8 28 127 0.94 9 143 15.1 151 145 58.6 586 146 8.3 83 175 99.99 999 176 7.8 78 //