MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005929
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005929
RECORD_TITLE: HEXYL ACETATE; 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$NAME: HEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
CH$LINK: INCHIKEY
AOGQPLXWSUTHQB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6022006
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$SPLASH: splash10-0ab9-9000000000-d6e7e57e88fb673af069
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
28 1.18 12
29 3.04 30
41 13.51 135
42 21.45 215
43 46.63 466
44 2.36 24
45 1.01 10
54 5.24 52
55 38.34 383
56 99.99 999
57 23.99 240
58 6.76 68
59 1.52 15
61 54.22 542
62 1.52 15
67 1.01 10
68 12.16 122
69 47.64 476
70 97.3 973
71 6.05 61
72 1.01 10
73 15.2 152
74 1.35 14
81 1.18 12
82 1.18 12
83 10.3 103
84 1.18 12
85 1.18 12
86 1.52 15
87 2.7 27
88 1.01 10
96 1.52 15
97 5.24 52
98 51.35 514
99 4.39 44
100 1.01 10
101 2.87 29
102 1.01 10
116 4.56 46
//