MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006551
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006551
RECORD_TITLE: ISOBUTYL LAURATE; 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$NAME: ISOBUTYL LAURATE
CH$NAME: ISOBUTYL DODECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H32O2
CH$EXACT_MASS: 256.24023
CH$SMILES: CCCCCCCCCCCC(=O)OCC(C)C
CH$IUPAC: InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-16(17)18-14-15(2)3/h15H,4-14H2,1-3H3
CH$LINK: INCHIKEY
SZFOMJOELAAHAF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70191252
AC$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-9100000000-46f58c7d520ec63683b2
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
27 8.67 87
29 24.66 247
39 6.8 68
41 45.64 456
42 9.69 97
43 41.11 411
44 1.01 10
53 1.69 17
54 1.97 20
55 24.94 249
56 99.99 999
57 93.23 932
58 3.83 38
60 21.61 216
61 6.47 65
67 3.3 33
68 1.75 18
69 10.02 100
70 3.45 35
71 12.27 123
73 15.46 155
74 1.65 17
81 2.4 24
82 1.11 11
83 7.86 79
84 5.03 50
85 8.39 84
87 4.2 42
95 3.61 36
96 1.03 10
97 5.97 60
98 5.57 56
99 1.4 14
101 3.48 35
109 1.67 17
111 1.73 17
115 3.36 34
116 6.7 67
117 1.91 19
129 7.11 71
143 1.24 12
157 4.59 46
171 1.27 13
183 36.98 370
184 4.94 49
200 13.19 132
201 27.72 277
202 3.37 34
//