MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005178
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005178
RECORD_TITLE: PROPYL PROPIONATE; 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$NAME: PROPYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCOC(=O)CC
CH$IUPAC: InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
CH$LINK: COMPTOX
DTXSID4042337
CH$LINK: INCHIKEY
MCSINKKTEDDPNK-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7803
AC$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: splash10-0a4r-9000000000-34caa674731bfbd2ddb6
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
27 1.98 20
29 17.42 174
31 2.48 25
41 4.64 46
42 9.89 99
43 21.38 214
56 1.58 16
57 99.99 999
58 4.02 40
59 6.67 67
84 4.18 42
85 57.36 574
86 2.15 22
96 1.08 11
97 11.59 116
//