MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006824
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006824
RECORD_TITLE: PRENYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PRENYL ACETATE
CH$NAME: 3-METHYL-2-BUTENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O2
CH$EXACT_MASS: 128.08373
CH$SMILES: CC(C)=CCOC(C)=O
CH$IUPAC: InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3
CH$LINK: INCHIKEY
XXIKYCPRDXIMQM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9047128
AC$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: splash10-014l-9000000000-d42ea79643d21b0c3917
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
15 7.14 71
27 15.15 152
29 13.34 133
31 1.13 11
38 1.64 16
39 22.11 221
40 9.63 96
41 56.52 565
42 8.06 81
43 99.99 999
44 2.39 24
45 1.17 12
50 1.59 16
51 2.87 29
52 1.77 18
53 26.95 270
54 2.6 26
55 3.69 37
56 1.54 15
57 8.39 84
61 1.15 12
65 1.37 14
66 2.02 20
67 53.47 535
68 87.25 873
69 35.37 354
70 1.78 18
71 25.18 252
72 1.02 10
83 2 20
85 11.15 112
86 18.06 181
128 3.27 33
//