MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001308
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001308
RECORD_TITLE: ACETIC ACID HEXYL ESTER; 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$NAME: ACETIC ACID HEXYL ESTER
CH$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-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: splash10-052f-9000000000-a501dc38f24dd902d772
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
15 3.69 37
27 7.13 71
28 2.77 28
29 7.38 74
31 1 10
39 4.86 49
40 1.11 11
41 17.09 171
42 18.99 190
43 99.99 999
44 2.77 28
54 1.6 16
55 23.6 236
56 51.51 515
57 3.63 36
58 3.32 33
61 22.13 221
69 16.59 166
70 1.17 12
71 1.29 13
73 8.97 90
83 2.77 28
84 18.44 184
85 1.72 17
101 1.23 12
//