MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001824
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001824
RECORD_TITLE: BUTYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: BUTYL BUTYRATE
CH$NAME: BUTYRIC ACID BUTYL ESTER
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-7M
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: splash10-0596-9000000000-d391cfb43ea3b2438e3d
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
26 1.34 13
27 17.85 179
29 23.19 232
31 2.04 20
39 12.58 126
40 2.67 27
41 60.08 601
42 11.6 116
43 99.99 999
44 4.01 40
45 2.25 23
55 12.51 125
56 70.48 705
57 22.14 221
60 12.09 121
61 2.11 21
70 1.05 11
71 81.94 819
72 3.37 34
73 6.54 65
88 3.16 32
89 35.84 358
90 1.48 15
101 4.43 44
//