MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007717
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007717
RECORD_TITLE: TETRADECYL 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$NAME: TETRADECYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H32O2
CH$EXACT_MASS: 256.24023
CH$SMILES: CCCCCCCCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-15H2,1-2H3
CH$LINK: INCHIKEY
IOUUIFSIQMVYKP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40862341
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$SPLASH: splash10-0006-9000000000-01fa49568188ba8a4488
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
40 1.4 14
41 36.6 366
42 11.7 117
43 99.99 999
44 3.5 35
53 1.6 16
54 4.2 42
55 3.06 31
56 20 200
57 23.1 231
58 2 20
61 2.15 22
67 4.4 44
68 7.1 71
69 21.1 211
70 1.49 15
71 8.2 82
73 2.1 21
81 2 20
82 0.85 9
83 17.8 178
84 8.2 82
85 3.6 36
96 0.31 3
97 12.3 123
98 4.9 49
99 0.7 7
101 0.03 0
110 1.1 11
111 5.2 52
112 2.3 23
116 0.11 1
124 0.5 5
125 2 20
126 1.1 11
138 0.03 0
139 0.6 6
140 0.6 6
153 0.2 2
154 0.02 0
168 1 10
169 0.1 1
196 0.5 5
197 0.1 1
//