MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003381
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003381
RECORD_TITLE: BUTYL LAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
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$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0pi3-9300000000-c69c8d7d991a18669770
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
43 99.99 999
45 3.9 39
53 2.9 29
54 49.7 497
55 84.8 848
56 31.2 312
58 9.1 91
59 2.16 22
60 14.1 141
67 2.2 22
68 2.2 22
69 0.79 8
70 2.1 21
71 7.8 78
73 21.4 214
74 0.29 3
81 2.4 24
83 17.2 172
84 7.1 71
85 0.52 5
87 19.6 196
95 2.4 24
97 3.5 35
98 0.26 3
100 12.5 125
101 24.3 243
102 4 40
111 3.26 33
112 4.5 45
115 3.9 39
116 8.6 86
129 4.66 47
130 3.5 35
142 15.2 152
143 3.9 39
157 0.26 3
171 53.8 538
172 4.7 47
183 10.2 102
200 0.29 3
201 20.4 204
202 2.2 22
231 3.2 32
256 0.37 4
257 2.2 22
//
system version 2.2.8-SNAPSHOT