MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002115
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002115
RECORD_TITLE: PROPIONIC ACID BUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PROPIONIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCOC(=O)CC
CH$IUPAC: InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY
BTMVHUNTONAYDX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5027223
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a6r-9000000000-fe604893272116d73ad4
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
26 1.61 16
27 11.3 113
28 7.69 77
29 51.94 519
30 1.42 14
31 3.94 39
39 3.1 31
41 21.38 214
42 1.87 19
43 4.59 46
55 7.24 72
56 35.47 355
57 99.99 999
58 3.29 33
71 3.04 30
73 1.49 15
74 2.2 22
75 23.13 231
87 5.88 59
//