MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007199
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007199
RECORD_TITLE: BUTYL 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$NAME: BUTYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H28O2
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C14H28O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3-13H2,1-2H3
CH$LINK: COMPTOX
DTXSID4067565
CH$LINK: INCHIKEY
ZRNCNTSXSYXHOW-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:35408
AC$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: splash10-0a4i-9200000000-15bec7cf55b2a95aaeb0
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
27 12.22 122
29 31.47 315
31 1.21 12
39 7.74 77
41 46.44 464
42 9.32 93
43 35.91 359
45 1.14 11
53 1.81 18
54 1.67 17
55 25.04 250
56 99.99 999
57 41.65 417
58 1.53 15
60 28.55 286
61 12.11 121
67 2.18 22
68 2.21 22
69 11.48 115
70 2.46 25
71 14.26 143
73 23.56 236
74 2.12 21
81 2.39 24
82 1.04 10
83 5.99 60
84 4.58 46
85 6.52 65
87 5.64 56
89 1.49 15
95 2.16 22
97 3.4 34
98 3.97 40
101 5.81 58
103 1.35 14
110 1.28 13
111 1.42 14
115 2.34 23
116 7.84 78
117 1.95 20
129 12.77 128
130 1.02 10
143 1.64 16
155 30.27 303
156 3.09 31
172 4.57 46
173 45.08 451
174 5.27 53
185 1.32 13
228 1.26 13
//
system version 2.2.8-SNAPSHOT