MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002539
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002539
RECORD_TITLE: N-BUTYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: N-BUTYL PROPIONATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a6r-9000000000-e56127e16d22512455a7
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
15 1.03 10
26 2.34 23
27 16.07 161
28 8.37 84
29 52.1 521
30 1.46 15
31 3.33 33
39 4.31 43
40 1 10
41 19.31 193
42 1.29 13
43 3.08 31
55 7.11 71
56 48.87 489
57 99.99 999
58 3.58 36
71 3.36 34
73 1.88 19
74 3.6 36
75 36.78 368
76 1.43 14
87 8.88 89
101 1.44 14
//
system version 2.2.8-SNAPSHOT