MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007084
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007084
RECORD_TITLE: METHYL 2-METHYLBUTYRATE; 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$NAME: METHYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: CCC(C)C(=O)OC
CH$IUPAC: InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
CH$LINK: CAS
868-57-5
CH$LINK: INCHIKEY
OCWLYWIFNDCWRZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1052587
AC$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: splash10-052r-9000000000-8e5fb68d71a8de2419d0
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
15 12.34 123
26 3.49 35
27 22.58 226
29 44.19 442
30 1.26 13
31 2.53 25
38 1.24 12
39 17.05 171
41 54.04 540
42 4.23 42
43 2.25 23
45 2.44 24
51 1.02 10
53 2.69 27
55 11.52 115
56 19.27 193
57 97.58 976
58 4.59 46
59 23.22 232
60 1.09 11
61 1.26 13
69 8.55 86
73 2.66 27
85 31.39 314
86 1.46 15
87 8.66 87
88 99.99 999
89 5.22 52
101 27.61 276
102 1.24 12
//
system version 2.2.8-SNAPSHOT