MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006535
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006535
RECORD_TITLE: ETHYL 4-METHYLPENTANOATE; 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$NAME: ETHYL 4-METHYLPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCOC(=O)CCC(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY
OFQRUTMGVBMTFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6067094
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$SPLASH: splash10-0f9g-9100000000-4bbceed47a2856975b25
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
15 2.88 29
26 4.39 44
27 29.75 298
29 51.13 511
30 2.98 30
31 4.13 41
38 1.15 12
39 15.64 156
41 34.16 342
42 9.57 96
43 75.57 756
44 1.55 16
45 16.85 169
50 1.03 10
51 1.7 17
53 4.23 42
54 2.42 24
55 32.9 329
56 11.92 119
57 16.65 167
58 1.71 17
59 7.2 72
60 25.64 256
61 17.15 172
67 1.06 11
69 7.45 75
70 16.46 165
71 16.17 162
73 29.85 299
74 18.13 181
75 5.67 57
81 23.65 237
82 2.84 28
83 11.66 117
84 1.21 12
87 3.66 37
88 99.99 999
89 5.69 57
97 2.85 29
98 1.54 15
99 56.73 567
100 4.07 41
101 72.06 721
102 6.13 61
115 9.6 96
116 1.6 16
117 3.86 39
129 2.76 28
//