MassBank Record: JP000174



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

ACCESSION: JP000174
RECORD_TITLE: ORTHO TOLUALDEHYDE; 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$NAME: ORTHO TOLUALDEHYDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H8O CH$EXACT_MASS: 120.05751 CH$SMILES: O=Cc(c1)c(C)ccc1 CH$IUPAC: InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
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$SPLASH: splash10-00r6-9500000000-7839fe7727fd4eead2bf PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 27 2.53 25 29 1.27 13 37 1.27 13 38 2.85 29 39 17.09 171 40 1.39 14 41 4.43 44 43 2.53 25 44 2.85 29 50 4.81 48 51 8.1 81 61 1.58 16 62 3.8 38 63 10.38 104 64 2.22 22 65 26.27 263 66 1.9 19 77 1.9 19 89 6.52 65 90 3.61 36 91 99.99 999 92 9.75 98 119 65.7 657 120 70.25 703 121 6.14 61 //