MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006523
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006523
RECORD_TITLE: ISOPENTYL ISOPENTANOATE; 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$NAME: ISOPENTYL ISOPENTANOATE
CH$NAME: ISOAMYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CC(C)CCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3
CH$LINK: INCHIKEY
XINCECQTMHSORG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8044757
AC$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: splash10-05fu-9000000000-2a19de7644662f7b1eb3
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
27 12.98 130
29 13.5 135
31 1.05 11
39 10.89 109
41 33.9 339
42 13.71 137
43 48.43 484
44 1.07 11
45 1.8 18
53 1.51 15
55 29.03 290
56 3.74 37
57 37.45 375
58 1.66 17
59 1.82 18
60 3.69 37
61 1.96 20
69 5.3 53
70 99.99 999
71 29.96 300
72 1.5 15
85 55.07 551
86 2.71 27
87 3.33 33
102 1.35 14
103 13.64 136
115 2.35 24
129 2.36 24
130 1.22 12
//