MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006503
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006503
RECORD_TITLE: HEXYL BUTYRATE; 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$NAME: HEXYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCOC(=O)CCC
CH$IUPAC: InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
CH$LINK: INCHIKEY
XAPCMTMQBXLDBB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8047559
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$SPLASH: splash10-0006-9000000000-c8872258839b61d390df
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
26 1.04 10
27 27 270
28 6.57 66
29 19.46 195
31 1.35 14
39 12.6 126
40 2.32 23
41 40.3 403
42 25.7 257
43 99.99 999
44 3.68 37
45 1.6 16
53 1.5 15
54 1.93 19
55 22.88 229
56 43.16 432
57 5.83 58
60 7.54 75
61 3.98 40
69 14.66 147
70 1.8 18
71 77.62 776
72 2.99 30
73 3.47 35
83 2.93 29
84 33.46 335
85 4.28 43
86 1.11 11
88 4.54 45
89 54.23 542
90 2.03 20
99 1.23 12
101 2.32 23
129 1.06 11
//