MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006821
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006821
RECORD_TITLE: DECYL 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$NAME: DECYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24O2
CH$EXACT_MASS: 200.17763
CH$SMILES: CCCCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3
CH$LINK: INCHIKEY
NUPSHWCALHZGOV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8047189
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$SPLASH: splash10-052f-9000000000-3f4fa52953f9fe2fb0d5
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
15 3.03 30
27 7.89 79
28 1.43 14
29 14.69 147
39 5.41 54
40 1.01 10
41 30.15 302
42 14.62 146
43 99.99 999
44 2.65 27
53 2.1 21
54 3.7 37
55 33.5 335
56 32.11 321
57 17.99 180
58 2.22 22
61 28.61 286
67 3.79 38
68 9.28 93
69 27.19 272
70 32.92 329
71 7.94 79
73 3.73 37
81 1.29 13
82 9.69 97
83 24.51 245
84 15.92 159
85 3.77 38
96 2.47 25
97 15.24 152
98 10.43 104
101 1.07 11
110 1.02 10
111 8.34 83
112 12.74 127
113 1.07 11
116 3.04 30
140 7.71 77
//