MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006401
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006401
RECORD_TITLE: DECYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: DECYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H28O2
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCCCCCCCCOC(=O)CCC
CH$IUPAC: InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-13-16-14(15)12-4-2/h3-13H2,1-2H3
CH$LINK: INCHIKEY
PUCQHFICPFUPKW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4063903
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$SPLASH: splash10-0596-9000000000-0df1e256ba0a8d996fad
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
16 1.25 13
27 18.98 190
28 4.9 49
29 24.42 244
31 1.2 12
39 8.37 84
40 1.51 15
41 51.3 513
42 20.46 205
43 99.99 999
44 3.25 33
45 1.15 12
53 2.27 23
54 4.96 50
55 37.52 375
56 34.52 345
57 30.39 304
58 2.08 21
60 3.87 39
61 2.35 24
67 3.69 37
68 7.17 72
69 24.83 248
70 34.39 344
71 76.41 764
72 3.28 33
73 2.15 22
81 1.39 14
82 7.92 79
83 23.65 237
84 17.29 173
85 6.99 70
86 1.22 12
88 5.32 53
89 66.35 664
90 2.66 27
96 2.45 25
97 14.57 146
98 8.67 87
99 1.38 14
101 1.5 15
110 1.26 13
111 7.74 77
112 9.33 93
113 1.01 10
140 10.38 104
141 1.26 13
144 1.9 19
//
system version 2.2.6-SNAPSHOT