MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008310
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008310
RECORD_TITLE: ETHYL PELARGONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL PELARGONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O2
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY
BYEVBITUADOIGY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1047651
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-000l-9100000000-25aeab30af507c69c9d5
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
15 0.58 6
18 0.54 5
26 0.47 5
27 11.87 119
28 3.99 40
29 32.33 323
30 0.76 8
31 0.62 6
39 5.4 54
40 1.43 14
41 24.74 247
42 9 90
43 30.4 304
44 1.39 14
45 11.12 111
46 0.3 3
53 1.66 17
54 1.29 13
55 21.65 217
56 7.53 75
57 21.72 217
58 1.28 13
59 1.87 19
60 25.47 255
61 21.11 211
62 0.63 6
67 2.11 21
68 1.71 17
69 9.22 92
70 23.59 236
71 14.12 141
72 0.79 8
73 23.43 234
74 3.36 34
75 0.59 6
79 0.35 4
81 2.79 28
82 0.37 4
83 5.05 51
84 4.52 45
85 0.78 8
87 3.24 32
88 99.99 999
89 8.16 82
90 0.62 6
93 0.18 2
94 0.34 3
95 0.52 5
96 0.73 7
97 3.93 39
98 1.83 18
99 0.29 3
101 37.77 378
102 3.48 35
103 0.35 4
111 0.96 10
112 1.13 11
113 0.12 1
115 6.82 68
116 0.72 7
121 0.24 2
122 0.15 2
123 0.96 10
125 0.24 2
129 2.88 29
130 0.51 5
139 0.89 9
140 0.21 2
141 20.26 203
142 1.96 20
143 7.87 79
144 0.96 10
157 6.43 64
158 0.85 9
159 1.09 11
186 2.78 28
187 0.62 6
//