MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006246
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006246
RECORD_TITLE: METHYL CAPRATE; 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$NAME: METHYL CAPRATE
CH$NAME: METHYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O2
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
CH$LINK: CAS
110-42-9
CH$LINK: INCHIKEY
YRHYCMZPEVDGFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4026842
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$SPLASH: splash10-00dl-9100000000-c96b4aca87b5230e393d
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
39 2.33 23
40 0.7 7
41 22.37 224
42 5.02 50
43 20.23 202
44 0.76 8
45 0.97 10
53 0.9 9
54 1.01 10
55 14.98 150
56 3.31 33
57 6.96 70
58 0.43 4
59 7.76 78
60 0.27 3
67 1.17 12
68 0.9 9
69 7.89 79
70 1.63 16
71 3.48 35
72 0.27 3
73 1.68 17
74 99.99 999
75 10.34 103
76 0.66 7
79 0.3 3
81 1.05 11
82 0.51 5
83 3.22 32
84 2.79 28
85 1.68 17
86 0.13 1
87 46.69 467
88 4.69 47
89 0.35 4
95 0.75 8
96 0.15 2
97 2.07 21
98 1.78 18
99 0.24 2
100 0.15 2
101 5.69 57
102 0.44 4
110 0.43 4
111 0.62 6
112 1.15 12
113 0.21 2
115 1.44 14
116 0.39 4
125 0.33 3
126 0.15 2
129 3.88 39
130 0.45 5
143 13.08 131
144 1.26 13
145 0.12 1
153 0.2 2
154 0.12 1
155 8.05 81
156 0.87 9
157 2.25 23
158 0.3 3
186 4.64 46
187 1.13 11
188 0.11 1
//
system version 2.2.8-SNAPSHOT