MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006139
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006139
RECORD_TITLE: PENTYL DECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: PENTYL DECANOATE
CH$NAME: PENTYL CAPRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H30O2
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCC(=O)OCCCCC
CH$IUPAC: InChI=1S/C15H30O2/c1-3-5-7-8-9-10-11-13-15(16)17-14-12-6-4-2/h3-14H2,1-2H3
CH$LINK: INCHIKEY
BGYFCELTJPRWBA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00208064
AC$INSTRUMENT: HITACHI M-80
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-9100000000-169a34b3f10b5c4c1b52
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
29 1.97 20
41 3.32 33
42 9.57 96
43 35.77 358
44 1.09 11
55 10.17 102
56 1.54 15
57 10.54 105
60 14.75 148
61 16.6 166
69 7.41 74
70 99.99 999
71 23.39 234
72 1.25 13
73 12.91 129
74 1.4 14
81 1.49 15
83 2.38 24
84 2.57 26
85 3.87 39
87 3.46 35
89 1.46 15
95 1.55 16
97 1.47 15
98 1.98 20
101 1.36 14
102 1.76 18
103 1.1 11
115 3.64 36
129 5.17 52
130 3.62 36
143 1.85 19
155 10.66 107
156 1.16 12
172 2.33 23
173 20.43 204
174 2.06 21
199 0.42 4
242 0.38 4
//
system version 2.2.8-SNAPSHOT