MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006402
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006402
RECORD_TITLE: UNDECYL 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$NAME: UNDECYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H30O2
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCCCOC(=O)CCC
CH$IUPAC: InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-14-17-15(16)13-4-2/h3-14H2,1-2H3
CH$LINK: INCHIKEY
DPMDQRRFSVRUMR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00203039
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$SPLASH: splash10-0596-9000000000-c3360e532db775ef7f9f
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
27 18.15 182
28 3.22 32
29 24.07 241
31 1.17 12
39 8.09 81
40 2 20
41 54.85 549
42 18.57 186
43 99.99 999
44 3.52 35
45 1.01 10
53 2.92 29
54 4.9 49
55 41.74 417
56 29.12 291
57 35.71 357
58 1.79 18
60 3.86 39
61 2.21 22
67 4.65 47
68 8.45 85
69 25.83 258
70 30.08 301
71 74.07 741
72 3.09 31
73 2.13 21
81 1.31 13
82 9.2 92
83 23.83 238
84 18.17 182
85 5.88 59
86 1.24 12
88 5.51 55
89 69.72 697
90 2.66 27
96 3.4 34
97 19.19 192
98 8.43 84
99 1.69 17
101 1.24 12
111 7.92 79
112 3.28 33
125 2.98 30
126 6.67 67
144 1.73 17
154 6.98 70
155 1.06 11
//
system version 2.2.6-SNAPSHOT