MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006500
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006500
RECORD_TITLE: ISOPENTYL BUTYRATE; 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$NAME: ISOPENTYL BUTYRATE
CH$NAME: ISOAMYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY
PQLMXFQTAMDXIZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3042059
AC$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: splash10-00dl-9000000000-518fbdd189797b447c9e
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
15 1.41 14
26 1.19 12
27 26.07 261
28 4.78 48
29 13.28 133
31 1.22 12
39 14.49 145
40 2.08 21
41 36.15 362
42 20.04 200
43 92.98 930
44 3.22 32
45 2.5 25
53 1.73 17
54 1.11 11
55 40.12 401
56 2.18 22
57 1.67 17
60 2.75 28
69 6.31 63
70 99.99 999
71 99.8 998
72 3.74 37
73 2.07 21
85 1.21 12
88 2.07 21
89 17.95 180
101 2.12 21
115 5.77 58
//