MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005930
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005930
RECORD_TITLE: PENTYL BUTYRATE; 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$NAME: PENTYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCOC(=O)CCC
CH$IUPAC: InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY
CFNJLPHOBMVMNS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4041604
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-9000000000-9983d3bae455366d38f6
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
41 4.64 46
42 23.84 238
43 53.64 536
44 1.66 17
55 19.87 199
56 1.32 13
57 1.32 13
60 9.27 93
61 2.98 30
69 6.62 66
70 89.41 894
71 99.99 999
72 4.3 43
73 5.63 56
85 1.99 20
86 2.65 27
87 1.32 13
88 81.13 811
89 3.97 40
101 5.63 56
102 0.99 10
115 2.65 27
131 1.99 20
//
system version 2.2.8-SNAPSHOT