MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006534
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006534
RECORD_TITLE: ETHYL 2-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$NAME: ETHYL 2-METHYLPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCC(C)C(=O)OCC
CH$IUPAC: InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY
HZPKNSYIDSNZKW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7047198
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$SPLASH: splash10-0ukc-9300000000-fff4083f113472b3bf87
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
26 1.76 18
27 13.06 131
29 24.97 250
30 1.51 15
31 1.44 14
39 6.64 66
41 19.78 198
42 6.55 66
43 59.11 591
45 5.09 51
53 1.96 20
55 9.7 97
56 5.96 60
57 2.18 22
59 1.79 18
69 3.53 35
70 3.95 40
71 48.69 487
72 3.15 32
73 6.25 63
74 47.61 476
75 4.6 46
87 9.91 99
99 25.38 254
100 2.16 22
101 5.37 54
102 99.99 999
103 5.81 58
115 12.03 120
116 1.68 17
117 2.13 21
129 1.48 15
//