MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008312
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008312
RECORD_TITLE: GAMMA-UNDECALACTONE; 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$NAME: GAMMA-UNDECALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H20O2
CH$EXACT_MASS: 184.14633
CH$SMILES: CCCCCCCC(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
CH$LINK: INCHIKEY
PHXATPHONSXBIL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4034287
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$SPLASH: splash10-000i-9100000000-f2e76be7239fd347d477
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
15 0.36 4
18 0.33 3
26 0.43 4
27 8.37 84
28 6.64 66
29 25.91 259
30 0.52 5
31 0.41 4
32 0.44 4
39 4.63 46
40 0.9 9
41 15.56 156
42 5.13 51
43 13.4 134
44 0.96 10
45 0.41 4
51 0.2 2
53 1.38 14
54 2.13 21
55 14.85 149
56 12.23 122
57 12.85 129
58 1.61 16
59 0.75 8
60 1.42 14
65 0.18 2
67 2.1 21
68 2.76 28
69 7.57 76
70 3.9 39
71 2.69 27
72 2.31 23
73 1.73 17
74 0.23 2
77 0.12 1
79 0.53 5
80 0.26 3
81 2.14 21
82 2.86 29
83 3.91 39
84 6.53 65
85 99.99 999
86 4.52 45
87 1.14 11
88 1.11 11
89 0.1 1
93 0.26 3
94 0.25 3
95 2.2 22
96 2.16 22
97 1.79 18
98 2.21 22
99 9.81 98
100 5.35 54
101 2.22 22
102 0.25 3
107 0.12 1
109 0.95 10
110 1.74 17
111 1.26 13
112 0.58 6
113 0.92 9
114 2.94 29
115 0.4 4
116 0.13 1
119 0.54 5
122 1.55 16
123 1.29 13
124 1.91 19
125 1.5 15
126 0.3 3
127 2.5 25
128 9.03 90
129 1.03 10
137 0.7 7
138 0.47 5
141 0.65 7
142 0.37 4
143 0.21 2
147 0.16 2
148 0.67 7
155 0.33 3
156 0.11 1
166 0.77 8
167 0.12 1
183 0.23 2
184 0.14 1
185 0.1 1
//
system version 2.2.6-SNAPSHOT