MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006247
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006247
RECORD_TITLE: METHYL LAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: METHYL LAURATE
CH$NAME: METHYL DODECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H26O2
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
CH$LINK: CAS
111-82-0
CH$LINK: INCHIKEY
UQDUPQYQJKYHQI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5026889
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-00dl-9000000000-d72b0ce9dd55c1ed1920
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
39 2.62 26
40 0.83 8
41 29.11 291
42 6.07 61
43 29.88 299
44 0.96 10
45 1.23 12
53 0.89 9
54 1.28 13
55 19.7 197
56 4.46 45
57 12.04 120
58 0.68 7
59 7.26 73
60 0.29 3
61 0.23 2
67 1.41 14
68 0.97 10
69 8.5 85
70 1.74 17
71 2.59 26
72 0.21 2
73 1.56 16
74 99.99 999
75 13.07 131
76 0.72 7
79 0.35 4
81 0.95 10
82 0.5 5
83 3.83 38
84 2.27 23
85 1.49 15
87 44.97 450
88 3.87 39
89 0.3 3
95 0.78 8
96 0.37 4
97 2.18 22
98 1.54 15
99 0.28 3
101 3.23 32
102 0.36 4
109 0.33 3
111 0.65 7
112 0.3 3
115 1.87 19
116 0.45 5
129 2.89 29
130 0.35 4
140 0.42 4
143 4.8 48
144 0.51 5
157 0.61 6
171 3.29 33
172 0.36 4
183 2.44 24
184 0.32 3
185 1.01 10
214 2.79 28
215 0.4 4
//