MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010777
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010777
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-9230000000-a87e6b36aa49cfca35c3
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
42 4.7 47
43 11.7 117
55 4.3 43
57 0.83 8
60 10.4 104
61 16.2 162
69 3.2 32
70 99.99 999
71 19.6 196
72 1.3 13
73 11.9 119
74 0.17 2
83 2.5 25
84 3.4 34
85 4.5 45
86 0.11 1
87 3 30
95 1.3 13
97 2.5 25
98 0.3 3
99 1.1 11
101 2.8 28
102 3.2 32
111 0.13 1
112 1.1 11
115 7 70
129 5.1 51
130 1.17 12
131 4 40
138 1.1 11
143 5.1 51
157 0.42 4
171 1.7 17
183 15.5 155
184 2.3 23
199 0.19 2
200 9.4 94
201 44.9 449
202 6.8 68
227 0.11 1
270 7 70
271 1.7 17
//
system version 2.2.8-SNAPSHOT