MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007203
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007203
RECORD_TITLE: HEXYL DECANOATE; 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$NAME: HEXYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H32O2
CH$EXACT_MASS: 256.24023
CH$SMILES: CCCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C16H32O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h3-15H2,1-2H3
CH$LINK: INCHIKEY
DGPNTCACXCHFDI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9065079
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$SPLASH: splash10-0a5c-9200000000-25c8f04250baf2e801e6
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
27 12.81 128
29 22.43 224
31 1 10
39 7.65 77
41 45.5 455
42 21.57 216
43 99.99 999
44 2.57 26
45 1.42 14
53 2.14 21
54 2.84 28
55 39.2 392
56 50.61 506
57 28.57 286
58 1.64 16
59 1.09 11
60 17.08 171
61 34.19 342
67 3.54 35
68 2.47 25
69 25.89 259
70 3.29 33
71 16.42 164
73 19.84 198
74 1.85 19
81 2.83 28
82 1.63 16
83 7.48 75
84 86.36 864
85 23.08 231
86 1.32 13
87 4.35 44
89 1.89 19
95 2.6 26
97 2.95 30
98 3.21 32
101 2.29 23
103 1.42 14
110 1.27 13
111 1.54 15
112 1.22 12
115 2.81 28
129 11.49 115
143 1.35 14
144 1.76 18
155 29.26 293
156 3.01 30
157 1.49 15
172 7.53 75
173 61.73 617
174 7.42 74
213 1.03 10
256 1.43 14
//