MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008737
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008737
RECORD_TITLE: DELTA-UNDECALACTONE; 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$NAME: DELTA-UNDECALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H20O2
CH$EXACT_MASS: 184.14633
CH$SMILES: CCCCCCC(C1)OC(=O)CC1
CH$IUPAC: InChI=1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3
CH$LINK: INCHIKEY
YZRXRLLRSPQHDK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9047099
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$SPLASH: splash10-006y-9000000000-1835014547e93eed9e19
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
26 1.41 14
27 21.68 217
28 1.85 19
29 20.01 200
31 1.19 12
39 11.65 117
40 2.98 30
41 46.5 465
42 34.26 343
43 38.16 382
44 3.55 36
51 1.13 11
53 3.47 35
54 4.19 42
55 34.06 341
56 8.63 86
57 4.11 41
58 1.09 11
60 2.13 21
67 3.05 31
68 6.01 60
69 9.66 97
70 34.12 341
71 41.9 419
72 2.2 22
73 1.92 19
81 2.15 22
82 3.26 33
83 5.47 55
84 4.97 50
85 2.07 21
86 2.95 30
87 1.13 11
95 2.03 20
96 4.1 41
97 4.43 44
98 2.86 29
99 99.99 999
100 5.72 57
101 1.39 14
110 1.3 13
112 1.51 15
113 3.06 31
114 10.94 109
115 2.11 21
122 3.07 31
123 1.5 15
124 2.26 23
125 1.14 11
141 1.06 11
142 1.38 14
148 2.54 25
166 2.37 24
//