MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008732
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008732
RECORD_TITLE: GAMMA-DODECALACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: GAMMA-DODECALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O2
CH$EXACT_MASS: 198.16198
CH$SMILES: CCCCCCCCC(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3
CH$LINK: INCHIKEY
WGPCZPLRVAWXPW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7047190
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-000i-9000000000-a490bf6e0f9a2e81e23b
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
27 9.57 96
28 4.97 50
29 27.54 275
39 5.25 53
41 23.09 231
42 4.93 49
43 14.11 141
53 1.6 16
54 3.06 31
55 16.65 167
56 11.62 116
57 8.23 82
58 1.37 14
60 1.41 14
67 2.52 25
68 2.93 29
69 7.27 73
70 4.65 47
71 2.64 26
72 2.11 21
73 1.65 17
81 2.5 25
82 1.77 18
83 4.8 48
84 4.34 43
85 99.99 999
86 3.79 38
87 1.29 13
95 1.91 19
96 3.28 33
97 2.84 28
98 3.02 30
100 4.29 43
110 2.12 21
111 1.34 13
114 2.41 24
123 1.14 11
128 6.59 66
136 2.05 21
138 1.73 17
139 1.2 12
141 1.28 13
180 1.12 11
//