MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002549
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002549
RECORD_TITLE: N-AMYL 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$NAME: N-AMYL BUTYRATE
CH$NAME: PENTYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCOC(=O)CCC
CH$IUPAC: InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY
CFNJLPHOBMVMNS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4041604
AC$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-9000000000-6fa919338a6659829346
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
15 1.78 18
26 1.37 14
27 24.8 248
28 4.97 50
29 17.33 173
31 2.19 22
39 10.33 103
40 2.19 22
41 34.04 340
42 35.56 356
43 98.77 988
44 3.32 33
45 1.59 16
53 1.13 11
55 24.45 245
56 1.75 18
57 1.67 17
60 9.91 99
61 3.24 32
69 7.6 76
70 79.52 795
71 99.99 999
72 4.63 46
73 6.15 62
85 1.67 17
86 2.11 21
87 1.41 14
88 7.86 79
89 71.85 719
90 3.45 35
101 5.17 52
115 2.42 24
130 1.8 18
158 0.28 3
//