MassBank Record: JP000046



 METHYL ORTHO TOLUATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000046
RECORD_TITLE: METHYL ORTHO TOLUATE; 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$NAME: METHYL ORTHO TOLUATE CH$NAME: ORTHO TOLUIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O2 CH$EXACT_MASS: 150.06808 CH$SMILES: COC(=O)c(c1)c(C)ccc1 CH$IUPAC: InChI=1S/C9H10O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H,1-2H3
AC$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: splash10-014l-9600000000-9175dd93a78314d03e0f PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 15 5.96 60 27 2.17 22 29 2.42 24 38 3.53 35 39 23.73 237 40 1.62 16 41 4.29 43 50 6.26 63 51 11.56 116 52 2.42 24 53 1.62 16 59 1.62 16 61 1.56 16 62 6.51 65 63 19.28 193 64 5.55 56 65 41.54 415 66 2.02 20 77 12.01 120 79 8.48 85 89 17.67 177 90 31.3 313 91 99.99 999 92 7.98 80 105 3.94 39 118 63.5 635 119 98.33 983 120 8.38 84 135 7.02 70 149 1.46 15 150 37.41 374 151 3.89 39 //