MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008739
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008739
RECORD_TITLE: DELTA-TRIDECALACTONE; 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$NAME: DELTA-TRIDECALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H24O2
CH$EXACT_MASS: 212.17763
CH$SMILES: CCCCCCCCC(C1)OC(=O)CC1
CH$IUPAC: InChI=1S/C13H24O2/c1-2-3-4-5-6-7-9-12-10-8-11-13(14)15-12/h12H,2-11H2,1H3
CH$LINK: INCHIKEY
RZZLMGATMUAJPX-UHFFFAOYSA-N
AC$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-c87bb6f0150dea0c3ff2
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
27 18.7 187
28 2.41 24
29 22.95 230
39 12.63 126
40 2.3 23
41 49.85 499
42 33.02 330
43 38.65 387
44 2.03 20
53 3.04 30
54 4.98 50
55 38.85 389
56 16.54 165
57 13.82 138
58 2.04 20
60 1.9 19
67 5.08 51
68 6.59 66
69 18.77 188
70 31.88 319
71 37.03 370
72 1.46 15
73 2.67 27
81 3.62 36
82 3.48 35
83 7.01 70
84 5.97 60
85 1.41 14
86 2.28 23
87 1.13 11
95 2.27 23
96 4.63 46
97 6.06 61
98 6.28 63
99 99.99 999
100 5.06 51
109 1.29 13
110 3.13 31
111 2.63 26
112 1.42 14
114 12.65 127
115 2.2 22
123 1.5 15
124 1.35 14
125 1.28 13
127 1.1 11
134 1.02 10
137 1.2 12
141 2.05 21
142 1.3 13
150 3.91 39
151 1.39 14
152 2.16 22
176 1.3 13
194 2.01 20
//