MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005304
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005304
RECORD_TITLE: HEXANOIC ACID ISOPROPYL 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$NAME: HEXANOIC ACID ISOPROPYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY
JSHDAORXSNJOBA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90177674
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$SPLASH: splash10-0006-9100000000-78c00e08ab30763b5e58
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
15 2.13 21
27 19.16 192
28 3.46 35
29 11.62 116
31 1.24 12
39 8.95 90
40 1.86 19
41 27.76 278
42 14.73 147
43 99.99 999
44 3.37 34
45 3.28 33
55 7.28 73
56 7.72 77
57 3.9 39
59 20.68 207
60 52.09 521
61 8.78 88
69 4.26 43
70 3.37 34
71 20.05 201
72 1.06 11
73 15.35 154
74 2.39 24
75 1.06 11
87 7.45 75
89 2.21 22
97 1.51 15
99 57.19 572
100 3.72 37
102 22.72 227
103 1.42 14
116 13.75 138
117 31.28 313
118 2.04 20
143 4.35 44
158 1.24 12
//
system version 2.2.8-SNAPSHOT