MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006988
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006988
RECORD_TITLE: BUTYL 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$NAME: BUTYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3
CH$LINK: INCHIKEY
RPRPDTXKGSIXMD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8060824
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$SPLASH: splash10-0ar4-9100000000-a9080f56e2b36fd03d56
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
26 1.58 16
27 28.4 284
29 46.21 462
30 1.16 12
31 2.08 21
39 16.18 162
41 57.58 576
42 15.22 152
43 67.88 679
44 1.7 17
45 2.79 28
53 2.09 21
54 1.06 11
55 21.55 216
56 99.99 999
57 32.57 326
58 1.32 13
60 29.96 300
61 9.75 98
69 5.9 59
70 4.56 46
71 28.25 283
72 1.55 16
73 20.89 209
74 2.19 22
75 1.91 19
83 1.18 12
86 1.19 12
87 10.5 105
89 4.67 47
97 1.23 12
99 85.97 860
100 5.94 59
101 3.19 32
116 8.47 85
117 75.06 751
118 5.06 51
129 1.98 20
//
system version 2.2.8-SNAPSHOT