MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008457
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008457
RECORD_TITLE: DECANAL DIETHYL ACETAL; 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$NAME: DECANAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H30O2
CH$EXACT_MASS: 230.22458
CH$SMILES: CCCCCCCCCC(OCC)OCC
CH$IUPAC: InChI=1S/C14H30O2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h14H,4-13H2,1-3H3
CH$LINK: INCHIKEY
GDDPLWAEEWIQKZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30188320
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$SPLASH: splash10-0zi9-9300000000-8bc6e59f3b2a8fc07da9
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
26 1.09 11
27 13.73 137
29 28.84 288
31 12.79 128
39 4.08 41
41 22.09 221
42 4.05 41
43 17.02 170
44 4.69 47
45 8.01 80
46 1.55 16
47 32.24 322
53 1.54 15
54 2.32 23
55 15.85 159
56 2.61 26
57 54.9 549
58 2.26 23
59 2.7 27
67 4.1 41
68 4.51 45
69 11.14 111
70 2.18 22
71 3.51 35
72 4.5 45
75 26.8 268
81 3.94 39
82 7.01 70
83 14.86 149
85 46.79 468
86 2.3 23
95 3.27 33
96 2.65 27
97 5.36 54
99 2.97 30
103 99.99 999
104 3.82 38
109 1.42 14
110 1.41 14
127 1.26 13
138 1.05 11
141 1.72 17
184 2.36 24
185 16.07 161
186 1.69 17
//
system version 2.2.6-SNAPSHOT