MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002547
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002547
RECORD_TITLE: N-BUTYL 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$NAME: N-BUTYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCOC(=O)CCC
CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
CH$LINK: INCHIKEY
XUPYJHCZDLZNFP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7041702
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$SPLASH: splash10-05g3-9000000000-6475886c051aaeebd2f5
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
15 1.88 19
26 1.68 17
27 21.96 220
28 6.32 63
29 24.17 242
31 2.18 22
39 9.34 93
40 1.61 16
41 35.77 358
42 5.06 51
43 60.09 601
44 1.98 20
45 1.47 15
55 7.59 76
56 63.43 634
57 19.82 198
60 11.4 114
61 2.07 21
70 1.35 14
71 99.99 999
72 4.85 49
73 7.22 72
88 6.87 69
89 60.61 606
90 2.94 29
101 6.87 69
116 2.37 24
144 0.39 4
//