MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007013
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007013
RECORD_TITLE: PENTYL NONANOATE; 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$NAME: PENTYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H28O2
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCCCCCCC(=O)OCCCCC
CH$IUPAC: InChI=1S/C14H28O2/c1-3-5-7-8-9-10-12-14(15)16-13-11-6-4-2/h3-13H2,1-2H3
CH$LINK: INCHIKEY
DZOQJRHASSOUOU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4069478
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$SPLASH: splash10-0596-9200000000-3c2051d8b43616956b01
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
27 15.14 151
29 26.09 261
31 2.1 21
39 8.27 83
41 44.19 442
42 26 260
43 67.09 671
44 2.08 21
45 1.81 18
53 2.23 22
54 1.78 18
55 36.27 363
56 5.71 57
57 27.83 278
58 1.48 15
59 1.2 12
60 18.63 186
61 15.09 151
67 2.64 26
68 2.29 23
69 12.78 128
70 99.99 999
71 31.58 316
72 1.38 14
73 18.19 182
74 1.64 16
81 2.78 28
83 3.31 33
84 2.66 27
85 1.18 12
87 4.27 43
89 2.82 28
96 1.35 14
97 3.26 33
98 2.37 24
101 2.12 21
102 1.99 20
103 1.97 20
112 1.18 12
115 10.02 100
129 4.99 50
130 4.44 44
139 1.09 11
141 34.86 349
142 2.98 30
143 1.78 18
158 4.57 46
159 61.22 612
160 5.61 56
//
system version 2.2.8-SNAPSHOT