MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010847
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010847
RECORD_TITLE: BUTYL LAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9210000000-0efb09ae5eb5ef195326
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
29 1.2 12
41 2.1 21
43 5 50
55 0.25 3
56 99.99 999
57 22.4 224
58 1.2 12
60 1.54 15
61 12.9 129
69 2.1 21
70 7.5 75
71 0.75 8
73 13.3 133
74 2.1 21
81 1.2 12
83 0.29 3
85 4.6 46
87 3.3 33
95 1.7 17
97 0.29 3
98 2.9 29
99 1.2 12
101 6.6 66
109 0.12 1
111 1.2 12
115 3.7 37
116 14.9 149
117 0.5 5
129 11.2 112
130 1.2 12
131 1.2 12
143 0.25 3
157 4.6 46
171 2.5 25
181 1.2 12
183 1.74 17
184 2.5 25
185 2.5 25
200 7.1 71
201 3.69 37
202 5 50
213 1.2 12
256 6.6 66
257 1.7 17
//
system version 2.2.8-SNAPSHOT