MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002730
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002730
RECORD_TITLE: METHYL TETRADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL TETRADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H30O2
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3
CH$LINK: INCHIKEY
ZAZKJZBWRNNLDS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5027019
AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-00du-9100000000-573216c9953d23ac1952
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
33 0.3 3
37 3.5 35
38 0.7 7
39 7.8 78
41 37.1 371
42 2.5 25
43 27.9 279
44 1.73 17
50 3.3 33
51 3.7 37
52 3.9 39
53 0.16 2
54 3 30
55 10.5 105
57 10.1 101
58 0.08 1
59 11.8 118
60 0.8 8
67 2.4 24
68 0.21 2
69 15.4 154
71 4.6 46
73 5.7 57
74 99.99 999
75 4.2 42
77 1 10
79 4 40
81 0.15 2
82 2.8 28
83 8.2 82
84 1.9 19
85 0.33 3
87 60.9 609
88 6.7 67
91 0.1 1
95 0.21 2
96 3.6 36
97 6.4 64
98 1.5 15
107 0.03 0
109 2.9 29
111 3.7 37
115 7.3 73
117 0.01 0
129 3.8 38
142 5.6 56
143 10.2 102
144 0.06 1
147 0.3 3
157 3.3 33
159 0.2 2
187 0.02 0
199 5.8 58
203 0.9 9
211 4.5 45
242 5.5 55
//