MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008909
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008909
RECORD_TITLE: GAMMA-UNDECALACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-000i-9100000000-7b954a533af11294131f
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
26 1.1 11
27 14.5 145
28 9.4 94
29 3.38 34
39 8.1 81
40 1.6 16
41 23.8 238
42 0.72 7
43 13.4 134
44 1.1 11
53 2.3 23
54 0.32 3
55 16.1 161
56 8.1 81
57 7.2 72
58 0.14 1
60 1.6 16
67 3 30
68 3.3 33
69 0.84 8
70 4.1 41
71 1.7 17
72 2.5 25
73 0.1 1
81 2.8 28
82 2.8 28
83 3.7 37
84 0.39 4
85 99.99 999
86 4.7 47
87 1.4 14
95 0.17 2
96 2.2 22
97 1.5 15
98 1.7 17
99 0.13 1
100 5.3 53
101 2.4 24
110 1.8 18
111 0.12 1
114 3 30
122 1.7 17
123 1.3 13
124 0.19 2
125 1.9 19
127 2.3 23
128 10.9 109
129 0.11 1
148 1.2 12
166 1.4 14
//
system version 2.2.6-SNAPSHOT