MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010874
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010874
RECORD_TITLE: ETHYL PIVALATE; 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$NAME: ETHYL PIVALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CCOC(=O)C(C)(C)C
CH$IUPAC: InChI=1S/C7H14O2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3
CH$LINK: INCHIKEY
HHEIMYAXCOIQCJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4049294
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$SPLASH: splash10-0a4i-9000000000-4a85592819143172b1ea
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
15 1.3 13
27 8.7 87
29 22.5 225
39 8.7 87
41 29.2 292
42 3.2 32
43 2.1 21
45 1.6 16
55 2 20
56 18.5 185
57 99.99 999
58 5 50
59 8 80
75 5.1 51
85 8.3 83
87 7.4 74
130 5.4 54
//