MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005303
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005303
RECORD_TITLE: HEXANOIC ACID ETHYL ESTER; 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$NAME: HEXANOIC ACID ETHYL ESTER
CH$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$LINK: INCHIKEY
SHZIWNPUGXLXDT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3021980
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01rl-9000000000-c4a428f4af3678af55b5
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
15 2.21 22
26 2.12 21
27 25.59 256
28 6.92 69
29 50.02 500
30 1.34 13
31 1.73 17
39 10.1 101
40 2.02 20
41 24.43 244
42 10.19 102
43 57.19 572
44 1.92 19
45 16.45 165
53 1.63 16
55 11.25 113
56 2.59 26
57 1.73 17
59 1.25 13
60 36.08 361
61 22.22 222
69 5 50
70 19.14 191
71 22.7 227
72 1.34 13
73 19.53 195
74 3.31 33
87 5.58 56
88 99.99 999
89 5.58 56
97 1.92 19
98 1.34 13
99 48.25 483
100 3.27 33
101 23.67 237
102 2.98 30
115 7.21 72
117 4.71 47
144 2.88 29
//