MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007716
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007716
RECORD_TITLE: DODECYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE 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$LINK: CAS
112-66-3
CH$LINK: INCHIKEY
VZWGRQBCURJOMT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7047641
AC$INSTRUMENT: SHIMADZU QP-1000
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: splash10-0006-9000000000-fb958cc82dfb2c5494f3
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
40 1.6 16
41 35.1 351
42 12.7 127
43 99.99 999
44 3.4 34
53 1.6 16
54 3.7 37
55 2.81 28
56 21.4 214
57 17.5 175
58 1.9 19
61 1.88 19
67 3.6 36
68 6.3 63
69 19.2 192
70 1.49 15
71 5.4 54
73 2.2 22
81 1.4 14
82 0.65 7
83 13.6 136
84 7.9 79
85 2.4 24
96 0.25 3
97 9.6 96
98 4.8 48
99 0.5 5
101 0.04 0
110 0.7 7
111 3.7 37
112 1.9 19
116 0.1 1
124 0.3 3
125 1.3 13
126 0.7 7
139 0.03 0
140 1.6 16
141 0.2 2
168 0.6 6
169 0.1 1
//
system version 2.2.6-SNAPSHOT