MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002530
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002530
RECORD_TITLE: ORTHO-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$NAME: ORTHO-CRESOL ACETATE
CH$NAME: ORTHO-TOLYL 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-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-6900000000-53c10d980e9c8b682bc0
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
15 5.03 50
27 4.18 42
28 2.92 29
38 1.16 12
39 6.35 64
43 27.81 278
50 2.67 27
51 6.08 61
52 3.88 39
53 3.08 31
63 2.08 21
65 1.82 18
77 11.07 111
78 4.02 40
79 7.88 79
80 5.09 51
89 1.62 16
90 8.71 87
91 3.52 35
107 27.63 276
108 99.99 999
109 7.81 78
150 14.62 146
151 1.6 16
//