MassBank Record: JP002941



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

ACCESSION: JP002941
RECORD_TITLE: ACETHYL VANILLIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ACETHYL VANILLIN CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H10O4 CH$EXACT_MASS: 194.05791 CH$SMILES: O=Cc(c1)cc(OC)c(OC(C)=O)c1 CH$IUPAC: InChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0udi-4900000000-fc3c3e1357a38b795f2c PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 15 8.31 83 39 3.35 34 41 2.83 28 43 46.94 469 50 3.42 34 51 8.81 88 52 5.82 58 53 3.64 36 63 3.12 31 65 4.14 41 77 2.6 26 79 6.17 62 80 2.64 26 81 4.9 49 95 2.65 27 109 7.26 73 123 6.9 69 137 3.96 40 150 4.92 49 151 61.18 612 152 99.99 999 153 9.05 91 194 7.19 72 //