MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006390
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006390
RECORD_TITLE: PROPYL 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$NAME: PROPYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCOC(=O)CC
CH$IUPAC: InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
CH$LINK: INCHIKEY
MCSINKKTEDDPNK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4042337
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$SPLASH: splash10-056r-9000000000-9a4b5d04bf6b06ff65da
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
15 1.89 19
26 4.75 48
27 31.9 319
28 9.78 98
29 49.79 498
30 2.01 20
31 6.49 65
39 5.72 57
40 1.06 11
41 14.85 149
42 10.41 104
43 27.1 271
55 1.11 11
56 1.75 18
57 99.99 999
58 3.78 38
59 5.76 58
74 2.65 27
75 35.02 350
76 1.07 11
87 6.58 66
//