MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001310
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001310
RECORD_TITLE: ACETIC ACID ORTHO-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$NAME: ACETIC ACID ORTHO-TOLYL ESTER
CH$NAME: ORTHO-CRESOL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: CC(=O)Oc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3
CH$LINK: INCHIKEY
AMZORBZSQRUXNC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7060201
AC$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-5900000000-2f6069670cdd8c182d83
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
15 1.96 20
27 2.25 23
28 1.76 18
39 4.71 47
43 23.43 234
50 2.16 22
51 4.9 49
52 2.84 28
53 2.55 26
63 1.67 17
65 1.76 18
77 10.59 106
78 3.33 33
79 8.92 89
80 6.18 62
89 1.76 18
90 9.71 97
91 3.04 30
107 33.04 330
108 99.99 999
109 7.35 74
150 10.78 108
151 1 10
//