MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008045
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008045
RECORD_TITLE: ACETIC ACID PARA-TOLYL 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$NAME: ACETIC ACID PARA-TOLYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: CC(=O)Oc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
CH$LINK: INCHIKEY
CDJJKTLOZJAGIZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0046567
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$SPLASH: splash10-0a4i-1900000000-20ee4619821736a9315b
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
43 7.75 78
77 3.19 32
78 0.8 8
79 4.1 41
80 3.42 34
90 3.42 34
91 1.71 17
107 25.63 256
108 99.99 999
109 7.75 78
150 13.1 131
151 1.37 14
//