MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002459
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002459
RECORD_TITLE: (4S,5S)-2-ETHYLIDENE-4,5-BIS(METHOXYMETHYL)-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$NAME: (4S,5S)-2-ETHYLIDENE-4,5-BIS(METHOXYMETHYL)-1,3-DIOXOLANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O4
CH$EXACT_MASS: 188.10486
CH$SMILES: COCC([H])(O1)C([H])(COC)OC(=CC)1
CH$IUPAC: InChI=1S/C9H16O4/c1-4-9-12-7(5-10-2)8(13-9)6-11-3/h4,7-8H,5-6H2,1-3H3/t7-,8-/m0/s1
CH$LINK: INCHIKEY
XTCIDCFOYMSRFH-YUMQZZPRSA-N
AC$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: splash10-000i-3900000000-e3094196dba6e43141e5
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
55 3.2 32
56 2.7 27
57 2 20
58 0.34 3
68 1.7 17
70 3.9 39
71 7.6 76
84 0.74 7
85 25 250
87 3 30
100 6.1 61
113 0.27 3
114 7.6 76
115 9.1 91
128 2.2 22
143 1.82 18
158 3.4 34
187 2.5 25
188 99.99 999
189 3 30
//