MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002531
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002531
RECORD_TITLE: META-CRESOL ACETATE; 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$NAME: META-CRESOL ACETATE
CH$NAME: META-TOLYL 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-6M
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-d82c9754fc9037b9fbd2
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
15 5.17 52
27 3.67 37
28 2.6 26
38 1.67 17
39 6.81 68
43 22.75 228
50 2.42 24
51 5.05 51
52 2.92 29
53 3.26 33
63 2.34 23
65 2.06 21
77 9.07 91
78 3.1 31
79 8.08 81
80 4.01 40
90 4.47 45
91 3.1 31
106 1.04 10
107 29.02 290
108 99.99 999
109 7.8 78
150 15.23 152
151 1.57 16
//