MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006992
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006992
RECORD_TITLE: HEXYL 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$NAME: HEXYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24O2
CH$EXACT_MASS: 200.17763
CH$SMILES: CCCCCCOC(=O)CCCCC
CH$IUPAC: InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3
CH$LINK: INCHIKEY
NCDCLPBOMHPFCV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3047552
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$SPLASH: splash10-0006-9100000000-33bceaef03295494e537
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
27 20.16 202
29 27.83 278
31 1.37 14
39 11.17 112
41 44.73 447
42 23.83 238
43 99.99 999
44 2.41 24
45 1.84 18
53 2.1 21
54 2.17 22
55 29.86 299
56 47.88 479
57 9.48 95
59 1.03 10
60 12.72 127
61 18.39 184
67 1.45 15
68 1.04 10
69 20.46 205
70 4.79 48
71 21.65 217
72 1.09 11
73 11.07 111
74 1.1 11
75 1.19 12
83 2.89 29
84 54.79 548
85 9.69 97
87 7.19 72
89 2.6 26
99 54.98 550
100 3 30
101 1.23 12
116 3.21 32
117 67.4 674
118 3.49 35
129 1.75 18
131 1.18 12
144 1.05 11
//