MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008548
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008548
RECORD_TITLE: 1,1-DIMETHYL-2-PROPENYL 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$NAME: 1,1-DIMETHYL-2-PROPENYL ACETATE
CH$NAME: DIMETHYL VINYL CARBINYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O2
CH$EXACT_MASS: 128.08373
CH$SMILES: C=CC(C)(C)OC(C)=O
CH$IUPAC: InChI=1S/C7H12O2/c1-5-7(3,4)9-6(2)8/h5H,1H2,2-4H3
CH$LINK: INCHIKEY
ZJVWGOLNVKJRDF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20179262
AC$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: splash10-00kf-9000000000-d4f70bf5df428344a151
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
15 10.06 101
18 1.37 14
26 1.79 18
27 15.57 156
28 1.3 13
29 2.84 28
31 1.31 13
38 1.17 12
39 14.74 147
40 3.41 34
41 47.03 470
42 5.54 55
43 99.99 999
44 2.14 21
45 1.02 10
50 1.34 13
51 2.33 23
53 9.75 98
54 1.5 15
55 3.17 32
57 2.34 23
59 4.85 49
67 10.85 109
68 28.72 287
69 33.08 331
70 1.67 17
71 35.67 357
72 1.3 13
85 11.75 118
113 2.75 28
//