MassBank Record: JP002455



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

ACCESSION: JP002455
RECORD_TITLE: (2S,3S)-1,4-BIS(BENZYLOXY)-2,3-BUTANEDIOL; 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$NAME: (2S,3S)-1,4-BIS(BENZYLOXY)-2,3-BUTANEDIOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H22O4 CH$EXACT_MASS: 302.15181 CH$SMILES: c(c2)ccc(c2)COCC([H])(O)C([H])(O)COCc(c1)cccc1 CH$IUPAC: InChI=1S/C18H22O4/c19-17(13-21-11-15-7-3-1-4-8-15)18(20)14-22-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-/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$MASS_SPECTROMETRY: IONIZATION_ENERGY 13.5 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0btc-5950000000-8f7284b0659b9d782d9a PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 58 1.4 14 71 4.2 42 76 3.4 34 79 0.14 1 82 5.7 57 85 3.4 34 87 1.4 14 88 0.23 2 91 73.2 732 97 4.8 48 103 1.4 14 104 5.07 51 105 2.5 25 107 99.99 999 108 9.9 99 110 0.31 3 111 3.4 34 121 2.3 23 124 3.4 34 125 0.28 3 135 1.1 11 136 1.1 11 139 3.1 31 147 0.17 2 151 4 40 155 2.5 25 163 9.9 99 167 0.34 3 175 1.1 11 181 1.4 14 182 2.8 28 192 0.17 2 193 4.8 48 197 2 20 206 1.4 14 207 0.23 2 211 88.7 887 212 4 40 219 1.7 17 //