MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008479
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008479
RECORD_TITLE: PENTYL DODECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: PENTYL DODECANOATE
CH$NAME: AMYL LAURATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H34O2
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCCCCC(=O)OCCCCC
CH$IUPAC: InChI=1S/C17H34O2/c1-3-5-7-8-9-10-11-12-13-15-17(18)19-16-14-6-4-2/h3-16H2,1-2H3
CH$LINK: INCHIKEY
PQWBDPUBNMEITD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40201711
AC$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: splash10-00dl-9110000000-2208ba8c96eba61bbbcc
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
14 3.08 31
18 3.08 31
27 12.2 122
29 16.43 164
31 4.89 49
32 4.85 49
39 7.41 74
41 39.12 391
42 25.06 251
43 66.82 668
44 4.67 47
45 2.75 28
53 3.48 35
54 1.28 13
55 36.41 364
56 6.69 67
57 24.49 245
58 2.4 24
59 1.01 10
60 16.17 162
61 15.51 155
67 3.76 38
68 2.96 30
69 14.21 142
70 99.99 999
71 25.72 257
72 1.23 12
73 18.15 182
74 3.01 30
81 2.63 26
82 2.08 21
83 7.45 75
84 5.32 53
85 8.58 86
87 4.93 49
89 1.17 12
95 3.21 32
97 6.2 62
98 4.7 47
99 2.41 24
101 2.08 21
102 4.25 43
109 2.65 27
111 2.93 29
112 1.15 12
115 7 70
129 6.05 61
130 6.57 66
131 1.76 18
143 4.94 49
157 4.57 46
171 2.37 24
183 20.68 207
184 3.61 36
199 1.21 12
200 6.96 70
201 42.46 425
202 6.77 68
270 3.87 39
//
system version 2.2.8-SNAPSHOT