MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010758
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010758
RECORD_TITLE: PENTYL 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$NAME: PENTYL LAURATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00dl-9110000000-f4d172de1bd8c7dcffa2
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
27 6.9 69
28 2.4 24
29 18.6 186
39 0.37 4
41 29.2 292
42 16.6 166
43 66.5 665
44 0.22 2
45 1.1 11
53 1.7 17
54 2.2 22
55 2.42 24
56 5.2 52
57 24 240
58 1.3 13
59 0.11 1
60 16.2 162
61 17.7 177
67 2.6 26
68 0.19 2
69 11 110
70 99.99 999
71 26.6 266
72 0.17 2
73 17.3 173
74 1.7 17
81 1.9 19
82 0.11 1
83 6 60
84 4.1 41
85 6.9 69
87 0.37 4
89 1.1 11
95 2.8 28
96 1.1 11
97 0.48 5
98 4.1 41
99 1.5 15
101 3.2 32
102 0.3 3
103 1.3 13
109 1.7 17
111 2.2 22
112 0.11 1
115 6.3 63
129 5 50
130 9.3 93
131 0.3 3
138 1.1 11
143 4.3 43
157 3.9 39
171 0.19 2
183 17.7 177
184 2.6 26
199 1.7 17
200 0.78 8
201 41.7 417
202 5.8 58
270 5.8 58
271 1.5 15
//
system version 2.2.8-SNAPSHOT