MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002550
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002550
RECORD_TITLE: ISOAMYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ISOAMYL BUTYRATE
CH$NAME: ISOPENTYL 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 RMU-6M
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-be743bf025ce1c0dc836
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
15 1.83 18
26 1.01 10
27 17.59 176
28 3.82 38
29 9.69 97
31 1.18 12
39 8.51 85
40 1.58 16
41 24 240
42 14.22 142
43 77.46 775
44 2.73 27
45 2.19 22
53 1.32 13
55 33.09 331
56 2.09 21
57 1.92 19
60 3.21 32
69 5.27 53
70 99.99 999
71 81.11 811
72 3.91 39
73 2.06 21
85 1.72 17
88 2.66 27
89 16.24 162
101 3.44 34
115 5 50
//