MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008044
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008044
RECORD_TITLE: BUTYRIC ACID ISOPENTYL ESTER; 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$NAME: BUTYRIC ACID ISOPENTYL ESTER
CH$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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-9000000000-84f324a87c41b088fe0b
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
29 1.43 14
41 3.52 35
42 9.52 95
43 45.6 456
44 1.76 18
45 1.32 13
55 25.71 257
56 1.54 15
57 1.21 12
60 2.2 22
69 4.62 46
70 99.99 999
71 73.08 731
72 3.3 33
73 1.43 14
85 1.76 18
87 2.53 25
88 3.08 31
89 14.51 145
101 3.74 37
115 4.84 48
//