MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007197
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007197
RECORD_TITLE: PROPYL 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$NAME: PROPYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H26O2
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCCCC(=O)OCCC
CH$IUPAC: InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY
OVFMRFMJVFDSAA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00184713
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$SPLASH: splash10-01vo-9300000000-3ab83e541031f18e243f
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
26 0.13 1
27 26.18 262
29 27.47 275
31 3.14 31
39 12.54 125
41 67.55 676
42 29.92 299
43 95.31 953
44 1.82 18
45 2.61 26
53 2.93 29
54 2.85 29
55 35.6 356
56 9.48 95
57 28.12 281
58 2.15 22
59 5.57 56
60 65.92 659
61 99.99 999
62 2.45 25
67 3.74 37
68 3.73 37
69 21.8 218
70 4.5 45
71 21.98 220
72 1.49 15
73 43.29 433
74 4.29 43
75 1.16 12
79 1.05 11
81 4.15 42
82 1.48 15
83 10.01 100
84 6.77 68
85 10.02 100
87 14.33 143
89 2.35 24
95 3.72 37
97 5.19 52
98 4.96 50
99 1.03 10
101 3.07 31
102 39.39 394
103 6.65 67
110 2.23 22
111 2.43 24
112 1.32 13
115 20.98 210
116 1.69 17
129 15.16 152
130 1.3 13
135 1.2 12
143 2.54 25
153 1.55 16
155 56.15 562
156 5.32 53
157 1.65 17
171 5.08 51
172 4.92 49
173 60.42 604
174 5.92 59
214 2.65 27
//
system version 2.2.6-SNAPSHOT