MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008382
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008382
RECORD_TITLE: ETHYL 2-METHYL-1,3-DIOXOLANE-2-ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 2-METHYL-1,3-DIOXOLANE-2-ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O4
CH$EXACT_MASS: 174.08921
CH$SMILES: CCOC(=O)CC(C)(O1)OCC1
CH$IUPAC: InChI=1S/C8H14O4/c1-3-10-7(9)6-8(2)11-4-5-12-8/h3-6H2,1-2H3
CH$LINK: INCHIKEY
XWEOGMYZFCHQNT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3041241
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-000l-9000000000-3aae2deb708e333932ac
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
15 3.54 35
27 7.35 74
28 2.26 23
29 16.25 163
31 2.26 23
39 5.02 50
40 1.56 16
41 6.64 66
42 8.68 87
43 62.01 620
44 2.11 21
45 4.24 42
58 1.3 13
59 3.67 37
69 1.57 16
71 1 10
72 1.59 16
85 2.47 25
86 2.7 27
87 99.99 999
88 4.35 44
89 5.73 57
99 1 10
117 2.49 25
131 1.12 11
159 11.21 112
//