MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010892
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010892
RECORD_TITLE: DECYL ISOVALERATE; 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$NAME: DECYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H30O2
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h14H,4-13H2,1-3H3
CH$LINK: INCHIKEY
VKGHOXUAAAZEBE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20868205
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$SPLASH: splash10-0pbc-9200000000-6302b1c7fb49f5df5b2e
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
27 15.5 155
28 2.8 28
29 35.9 359
31 1.6 16
39 10.6 106
40 3.1 31
41 75 750
42 21.2 212
43 73.2 732
44 2.5 25
45 2 20
53 3.3 33
54 4.3 43
55 46.9 469
56 40.3 403
57 96.4 964
58 3.7 37
59 3.8 38
60 6.2 62
61 11.6 116
67 4.5 45
68 8 80
69 27.6 276
70 37.1 371
71 16.9 169
72 1.4 14
81 1.9 19
82 10.4 104
83 29.3 293
84 22 220
85 73.9 739
86 3.4 34
99 1.6 16
100 1.2 12
101 1.4 14
102 7.1 71
103 99.99 999
104 5.4 54
110 2.1 21
111 10.5 105
112 17.1 171
113 1.6 16
115 1.1 11
116 1 10
140 34.7 347
141 3.2 32
158 2.4 24
185 2 20
//
system version 2.2.6-SNAPSHOT