MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006429
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006429
RECORD_TITLE: ETHYL OCTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL OCTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
CH$LINK: INCHIKEY
YYZUSRORWSJGET-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8051542
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$SPLASH: splash10-0553-9100000000-317ca99bd3ea06f6d867
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
26 1.35 14
27 20.68 207
29 39.48 395
30 1.03 10
31 1.49 15
39 9.61 96
41 33.24 332
42 11.04 110
43 23.82 238
45 12.54 125
53 2.03 20
54 1.38 14
55 22.48 225
56 4.41 44
57 35.04 350
58 1.37 14
59 1.32 13
60 27.08 271
61 20.38 204
67 1.78 18
69 7.15 72
70 17.19 172
71 1.41 14
73 21.91 219
74 2.71 27
83 3.47 35
84 3.51 35
87 2.99 30
88 99.99 999
89 6.94 69
97 2.4 24
98 2.47 25
101 33.62 336
102 2.53 25
109 1.18 12
115 7.12 71
127 23.91 239
128 1.82 18
129 7.2 72
143 2.81 28
145 1.38 14
172 1.64 16
//