MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001301
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001301
RECORD_TITLE: ACETIC ACID PROPYL 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$NAME: ACETIC ACID PROPYL ESTER
CH$NAME: PROPYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10O2
CH$EXACT_MASS: 102.06808
CH$SMILES: CCCOC(C)=O
CH$IUPAC: InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
CH$LINK: INCHIKEY
YKYONYBAUNKHLG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021901
AC$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: splash10-0006-9000000000-d3ec8dd755a3715c491e
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
15 3.88 39
27 5.09 51
28 1.53 15
29 1.64 16
31 3.88 39
39 2.24 22
41 6.84 68
42 9.3 93
43 99.99 999
44 2.3 23
57 1.15 12
59 4.76 48
61 27.3 273
72 1.42 14
73 13.13 131
//