MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007201
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007201
RECORD_TITLE: PENTYL DECANOATE; 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$NAME: PENTYL DECANOATE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00dl-9200000000-54dd5eeb6934d4546e5e
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
27 11.12 111
29 22.53 225
39 7.03 70
41 39.21 392
42 22.1 221
43 69.46 695
44 1.8 18
45 1.33 13
53 1.73 17
54 1.93 19
55 31.45 315
56 6.23 62
57 18.31 183
58 1.12 11
60 18.51 185
61 15.95 160
67 2.36 24
68 2.17 22
69 14.91 149
70 99.99 999
71 30.64 306
72 1.55 16
73 18.7 187
74 1.81 18
81 2.43 24
83 5.03 50
84 4.41 44
85 6.48 65
87 5.35 54
89 1.52 15
95 2.14 21
97 2.52 25
98 2.81 28
101 1.92 19
102 2.14 21
103 1.51 15
110 1.19 12
111 1.37 14
112 1.1 11
115 5.94 59
129 8.55 86
130 6.13 61
131 1.24 12
143 2.9 29
155 26.81 268
156 2.61 26
172 5.28 53
173 51 510
174 6.02 60
242 1.09 11
//
system version 2.2.8-SNAPSHOT