MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006550
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006550
RECORD_TITLE: BUTYL 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$NAME: BUTYL LAURATE
CH$NAME: BUTYL DODECANOATE
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 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-f8ef34610b7e42347035
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
27 10.7 107
29 30.79 308
31 1.04 10
39 6.25 63
41 48.89 489
42 9.21 92
43 38.51 385
45 1.09 11
53 1.71 17
54 2 20
55 27.58 276
56 99.99 999
57 49.72 497
58 1.8 18
60 26.03 260
61 12.87 129
67 2.37 24
68 1.63 16
69 10.66 107
70 2.53 25
71 10.25 103
73 24.02 240
74 2.06 21
81 2.04 20
83 7.69 77
84 4.7 47
85 6.43 64
87 4.57 46
95 2.35 24
97 5.41 54
98 4.62 46
99 1.06 11
101 6.73 67
109 1.17 12
111 1.62 16
115 2.52 25
116 7.63 76
117 2.33 23
129 9.9 99
143 1.22 12
157 3.52 35
171 1.49 15
183 17.72 177
184 1.93 19
185 1.04 10
200 3.66 37
201 27.62 276
202 3.45 35
256 1.69 17
//
system version 2.2.8-SNAPSHOT