MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006985
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006985
RECORD_TITLE: ETHYL HEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
CH$LINK: COMPTOX
DTXSID3021980
CH$LINK: INCHIKEY
SHZIWNPUGXLXDT-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:31265
AC$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: splash10-01tl-9000000000-b511103509087502c6df
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
15 2.8 28
26 4 40
27 47.13 471
29 79.07 791
30 1.95 20
31 2.37 24
39 19.35 194
41 41.9 419
42 23.86 239
43 77.63 776
44 2.36 24
45 22.83 228
53 2.43 24
54 1.04 10
55 20.66 207
56 3.15 32
57 2.9 29
59 1.25 13
60 46.17 462
61 26.33 263
69 7.62 76
70 25.5 255
71 26.83 268
72 1.1 11
73 28.16 282
74 4.47 45
83 1.09 11
87 7.36 74
88 99.99 999
89 4.98 50
97 1.71 17
98 1.02 10
99 53.52 535
100 2.61 26
101 25.86 259
102 2.6 26
115 7.83 78
117 3.53 35
//