MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006392
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006392
RECORD_TITLE: BUTYL PROPIONATE; 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$NAME: BUTYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCOC(=O)CC
CH$IUPAC: InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY
BTMVHUNTONAYDX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5027223
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$SPLASH: splash10-0a6r-9000000000-37f42e865be80a64a749
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
15 1.3 13
26 3.61 36
27 24.44 244
28 11.31 113
29 58.81 588
30 1.48 15
31 3.71 37
39 6.59 66
40 1.04 10
41 21.81 218
42 2.5 25
43 3.58 36
55 7.15 72
56 37.02 370
57 99.99 999
58 3.56 36
71 2.35 24
73 1.38 14
74 2.68 27
75 26.22 262
87 6.38 64
//
system version 2.2.8-SNAPSHOT