MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006823
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006823
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-052f-9000000000-a75b64a9557dc1692b4f
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
15 1.91 19
27 6.98 70
28 1.5 15
29 14.85 149
39 4.62 46
40 1.01 10
41 33.45 335
42 12.07 121
43 99.99 999
44 2.66 27
53 2.02 20
54 4.56 46
55 37.06 371
56 30.72 307
57 25.56 256
58 2.08 21
61 32.66 327
67 4.96 50
68 12.22 122
69 33.86 339
70 28.52 285
71 10.77 108
73 4.05 41
81 2.58 26
82 14.75 148
83 30.67 307
84 18.67 187
85 4.48 45
96 4.88 49
97 21.7 217
98 11.57 116
99 1.18 12
110 1.75 18
111 10.84 108
112 4.91 49
116 3.23 32
125 3.34 33
126 2.38 24
139 1.23 12
140 7.65 77
168 6.7 67
169 1.08 11
//
system version 2.2.6-SNAPSHOT