MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008738
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008738
RECORD_TITLE: DELTA-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$NAME: DELTA-DODECALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O2
CH$EXACT_MASS: 198.16198
CH$SMILES: CCCCCCCC(C1)OC(=O)CC1
CH$IUPAC: InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
CH$LINK: INCHIKEY
QRPLZGZHJABGRS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9047596
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$SPLASH: splash10-006y-9000000000-6dde1f4e9eb6e77e2909
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
26 1.04 10
27 22.19 222
28 2.55 26
29 23.44 234
39 13.5 135
40 2.86 29
41 44.86 449
42 31.68 317
43 35.78 358
44 2.18 22
53 3.04 30
54 4.47 45
55 36.32 363
56 15.75 158
57 8.55 86
58 1.81 18
60 2.18 22
67 4.55 46
68 5.69 57
69 13.9 139
70 30.28 303
71 38.74 387
72 2 20
73 2.64 26
79 1.09 11
81 3.55 36
82 2.62 26
83 5.5 55
84 7.12 71
85 1.48 15
86 2.55 26
87 1.01 10
95 2.13 21
96 4.78 48
97 5.31 53
98 4.1 41
99 99.99 999
100 5.77 58
101 1.3 13
109 1.13 11
110 2.25 23
111 2.1 21
114 10.67 107
115 2.3 23
123 1.24 12
124 1.08 11
127 2.86 29
136 3.11 31
137 1.45 15
138 2.41 24
142 1.36 14
162 2.1 21
180 2.07 21
//