MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006989
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006989
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCC(=O)OCC(C)C
CH$IUPAC: InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY
UXUPPWPIGVTVQI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0059322
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$SPLASH: splash10-0a4m-9000000000-2cad1057395421f637d5
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 18.77 188
29 27.55 276
31 1.78 18
39 13.41 134
41 43.28 433
42 11.7 117
43 55.31 553
44 1.32 13
45 1.46 15
53 1.74 17
55 12.62 126
56 76.41 764
57 47.17 472
58 1.89 19
60 18.43 184
61 2.95 30
69 2.9 29
70 4.49 45
71 27.22 272
72 1.36 14
73 11.98 120
74 1.4 14
86 1.09 11
87 6.02 60
89 1.06 11
99 99.99 999
100 7.34 73
116 6.92 69
117 29.24 292
118 1.73 17
129 1.61 16
142 1.09 11
//