MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010778
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010778
RECORD_TITLE: ISOBUTYL LAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ISOBUTYL LAURATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9110000000-9e7ff9f3a94ac3a28188
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
29 1 10
41 1.7 17
43 4.5 45
55 0.14 1
56 99.99 999
57 57.2 572
58 2.4 24
60 1.52 15
61 5.9 59
69 1.7 17
70 1.4 14
71 0.61 6
73 8 80
74 1.2 12
81 1 10
83 0.28 3
84 2.3 23
85 5.1 51
87 2.8 28
95 0.21 2
97 2.4 24
98 3 30
99 1.7 17
101 0.26 3
109 1.4 14
111 1.2 12
115 3 30
116 0.96 10
117 3.1 31
129 5.9 59
138 1 10
140 0.1 1
143 1.6 16
157 3.7 37
171 1.6 16
183 2.86 29
184 4 40
200 15.2 152
201 27.4 274
202 0.37 4
256 2.8 28
//