MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010760
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010760
RECORD_TITLE: BUTYL 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$NAME: BUTYL LAURATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H32O2
CH$EXACT_MASS: 256.24023
CH$SMILES: CCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3
CH$LINK: INCHIKEY
NDKYEUQMPZIGFN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4059336
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9110000000-fddb478401344cb3bb38
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
27 7.6 76
28 2.2 22
29 24.9 249
39 0.44 4
40 1.3 13
41 33.3 333
42 6.2 62
43 3.02 30
44 1.3 13
53 1.3 13
54 2.2 22
55 1.91 19
56 99.99 999
57 41.8 418
58 1.8 18
60 2.09 21
61 12.9 129
67 2.7 27
68 1.8 18
69 0.8 8
70 4.4 44
71 10.2 102
73 19.1 191
74 0.22 2
81 2.2 22
83 6.2 62
84 3.6 36
85 0.58 6
87 4 40
89 1.3 13
95 3.1 31
96 0.13 1
97 4.4 44
98 4 40
99 1.3 13
101 0.62 6
103 1.3 13
109 1.8 18
111 1.8 18
112 0.13 1
115 3.1 31
116 12 120
117 4 40
129 0.93 9
130 1.3 13
139 1.3 13
143 1.8 18
157 0.4 4
171 2.2 22
183 18.2 182
184 2.7 27
185 0.18 2
200 5.8 58
201 31.6 316
202 4 40
213 0.13 1
256 5.8 58
//
system version 2.2.8-SNAPSHOT