MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008052
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008052
RECORD_TITLE: BUTYRIC ACID PROPYL 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$NAME: BUTYRIC ACID PROPYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCOC(=O)CCC
CH$IUPAC: InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY
HUAZGNHGCJGYNP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6059318
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$SPLASH: splash10-00du-9000000000-30a3292ce66cabc986f6
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
27 3.35 34
29 1.65 17
31 3.3 33
41 9.31 93
42 14.71 147
43 66.67 667
45 2.25 23
55 0.9 9
57 1.35 14
59 6.31 63
60 13.81 138
61 10.66 107
70 1.2 12
71 99.99 999
72 4.65 47
73 9.46 95
87 1.05 11
88 5.4 54
89 67.57 676
90 3 30
100 1.2 12
101 6.01 60
102 5.41 54
//
system version 2.2.6-SNAPSHOT