MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010312
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010312
RECORD_TITLE: DODECYL 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$NAME: DODECYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H28O2
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCCCCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3
CH$LINK: INCHIKEY
VZWGRQBCURJOMT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7047641
AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-052f-9000000000-64ad0560576ca0778cb8
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
26 1.43 14
27 3.66 37
29 5.35 54
38 1.32 13
39 5.58 56
40 1.61 16
41 21.69 217
42 6.46 65
43 99.99 999
44 2.92 29
53 1.38 14
54 3.31 33
55 20.3 203
56 15.02 150
57 12.72 127
58 13.47 135
59 1.35 14
61 12.08 121
67 2.86 29
68 4.09 41
69 11.32 113
70 9.48 95
71 3.53 35
73 1.89 19
82 4.22 42
83 8.79 88
84 5.54 55
85 1.71 17
96 1.37 14
97 4.78 48
98 2.84 28
111 1.22 12
//