MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006530
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006530
RECORD_TITLE: PENTYL 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$NAME: PENTYL ISOPENTANOATE
CH$NAME: AMYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY
QURFFFCYNQXLCU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1067093
AC$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: splash10-059f-9100000000-80e4b949d6b2457b120a
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
15 1.43 14
26 1.19 12
27 24.59 246
29 37.43 374
31 1.75 18
39 20.73 207
41 60.64 606
42 36.88 369
43 72.1 721
44 2.32 23
45 3.78 38
53 2.07 21
54 1.02 10
55 28.98 290
56 6.29 63
57 68.06 681
58 3 30
59 6.32 63
60 21.27 213
61 16.6 166
69 8.7 87
70 91.07 911
71 17.92 179
72 1.12 11
85 99.99 999
86 5.99 60
87 19.02 190
100 1.15 12
101 1.02 10
102 6.98 70
103 78.03 780
104 4.48 45
115 5.18 52
130 3.56 36
//
system version 2.2.8-SNAPSHOT