MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007010
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007010
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24O2
CH$EXACT_MASS: 200.17763
CH$SMILES: CCCCCCCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-12(13)14-11(2)3/h11H,4-10H2,1-3H3
CH$LINK: INCHIKEY
DVFZGWDMFKTMFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7067370
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$SPLASH: splash10-052f-9200000000-05bb49b0e2e228cd1e4f
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
15 1.06 11
27 21.95 220
29 21.05 211
31 1.12 11
39 11.87 119
41 52.22 522
42 18.58 186
43 99.99 999
44 2.8 28
45 4.58 46
53 1.87 19
54 2.07 21
55 25.02 250
56 9.09 91
57 41.34 413
58 1.7 17
59 23.44 234
60 62.17 622
61 11.45 115
67 2.59 26
68 2.41 24
69 11.54 115
70 4.35 44
71 17.5 175
73 24.31 243
74 2.54 25
81 3.07 31
83 4.95 50
84 4.62 46
87 6.86 69
89 1.58 16
96 1.82 18
97 4.64 46
98 10.06 101
99 2.02 20
101 2.74 27
102 37.07 371
103 3.32 33
112 1.26 13
115 10.7 107
129 9.02 90
139 1.5 15
141 37.17 372
142 3.17 32
158 19.01 190
159 28.32 283
160 2.31 23
//