MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006509
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006509
RECORD_TITLE: HEXYL PENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: HEXYL PENTANOATE
CH$NAME: HEXYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O2
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCOC(=O)CCCC
CH$IUPAC: InChI=1S/C11H22O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY
YERFHJZYNMRVLO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3061502
AC$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: splash10-0a4u-9100000000-d5318a5a2bfb57ed8168
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
26 1.73 17
27 32.1 321
29 56.72 567
30 1.34 13
31 2.19 22
39 17.43 174
41 70.74 707
42 29.82 298
43 82.33 823
44 1.77 18
45 2.56 26
53 2.78 28
54 2.93 29
55 41.28 413
56 74.25 743
57 76.45 765
58 3.11 31
59 1.66 17
60 16 160
61 18.42 184
67 1.66 17
69 23.17 232
70 1.13 11
73 13.32 133
74 1.02 10
75 3.04 30
83 3.83 38
84 62.63 626
85 99.99 999
86 4.34 43
87 1.92 19
101 1.75 18
102 4.16 42
103 87.28 873
104 3.51 35
115 1.61 16
129 1.72 17
//