MassBank Record: JP002530

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ORTHO-CRESOL ACETATE; EI-B; MS
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n
metabolomics-usi visualisation

ACCESSION: JP002530
RECORD_TITLE: ORTHO-CRESOL ACETATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 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 //