MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001312
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001312
RECORD_TITLE: ACETIC ACID META-TOLYL 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$NAME: ACETIC ACID META-TOLYL ESTER
CH$NAME: META-CRESOL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: CC(=O)Oc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-4-3-5-9(6-7)11-8(2)10/h3-6H,1-2H3
CH$LINK: INCHIKEY
OTGAHJPFNKQGAE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7046041
AC$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: splash10-0a4i-5900000000-7301945c166e8a5a537b
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
15 3.6 36
27 2.72 27
38 1.24 12
39 5.96 60
42 1 10
43 21.37 214
50 2.07 21
51 4.37 44
52 2.42 24
53 2.95 30
63 2.13 21
65 2.13 21
77 9.45 95
78 3.01 30
79 9.45 95
80 5.25 53
90 5.9 59
91 3.31 33
106 1.12 11
107 35.3 353
108 99.99 999
109 7.56 76
150 11.45 115
151 1.24 12
//