MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008740
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008740
RECORD_TITLE: DELTA-TETRADECALACTONE; 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$NAME: DELTA-TETRADECALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H26O2
CH$EXACT_MASS: 226.19328
CH$SMILES: CCCCCCCCCC(C1)OC(=O)CC1
CH$IUPAC: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3
CH$LINK: INCHIKEY
SKQYTJLYRIFFCO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60863012
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$SPLASH: splash10-006y-9100000000-b53603437a251aaca7a3
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
27 14.82 148
28 2.61 26
29 23.45 235
39 9.86 99
40 2.69 27
41 51.66 517
42 31.38 314
43 45.9 459
44 2.34 23
53 3.6 36
54 4.8 48
55 43.97 440
56 13.55 136
57 12.12 121
58 2.3 23
60 2.53 25
67 5.87 59
68 7.79 78
69 20.09 201
70 33.66 337
71 40.22 402
72 1.85 19
73 3.67 37
79 1.4 14
81 5.02 50
82 4.75 48
83 11.2 112
84 8.32 83
85 2.76 28
86 2.69 27
87 1.38 14
95 3.45 35
96 5.31 53
97 8.79 88
98 5.88 59
99 99.99 999
100 5.59 56
101 2.28 23
109 1.72 17
110 3.26 33
111 2.94 29
112 3.67 37
113 1.36 14
114 10.35 104
115 2.42 24
123 1.59 16
124 2.41 24
125 1.75 18
126 1.01 10
127 1.79 18
128 1.05 11
134 1.64 16
137 1.74 17
138 1.18 12
139 1.16 12
142 1.27 13
151 1.56 16
155 1.57 16
164 4.18 42
165 1.64 16
166 1.87 19
190 1.02 10
208 3.04 30
//