MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007007
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007007
RECORD_TITLE: ETHYL 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$NAME: ETHYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O2
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY
BYEVBITUADOIGY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1047651
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$SPLASH: splash10-000l-9100000000-ec6b2f11765bff0f80ab
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
26 1.01 10
27 17 170
29 34.67 347
31 1.03 10
39 7.94 79
41 32.03 320
42 9.05 91
43 25.43 254
45 10.1 101
53 1.85 19
54 1.55 16
55 21.45 215
56 5.79 58
57 18.11 181
59 1.26 13
60 23.1 231
61 18.73 187
67 1.94 19
68 1.63 16
69 9.35 94
70 15.3 153
71 10.76 108
73 21.72 217
74 2.45 25
81 1.82 18
83 3.76 38
84 4.41 44
87 2.67 27
88 99.99 999
89 8.13 81
97 2.55 26
98 1.48 15
101 37.72 377
102 2.81 28
112 1 10
115 6.3 63
129 1.89 19
141 18 180
142 1.5 15
143 7.11 71
157 5.98 60
186 1.92 19
//