MassBank Record: JP009387



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

ACCESSION: JP009387
RECORD_TITLE: VANILLIN; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: VANILLIN CH$NAME: 4-HYDROXY-3-METHOXYBENZALDEHYDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H8O3 CH$EXACT_MASS: 152.04734 CH$SMILES: O=Cc(c1)cc(OC)c(O)c1 CH$IUPAC: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 CH$LINK: INCHIKEY MWOOGOJBHIARFG-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80A AC$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$SPLASH: splash10-0udi-9800000000-d8f749f48a78e7c9c3bf PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 15 11.57 116 26 3.45 35 27 11.95 120 29 19.6 196 31 2.39 24 37 3.51 35 38 6.53 65 39 13.32 133 41 4.32 43 49 2.2 22 50 12.44 124 51 21.29 213 52 21.41 214 53 14.26 143 54 1.7 17 55 5.91 59 61 2.73 27 62 6.02 60 63 10.23 102 64 2.49 25 65 11.25 113 66 2.11 21 67 3.88 39 74 1.55 16 75 1.2 12 77 5.79 58 79 7.52 75 80 5.83 58 81 39.21 392 82 2.2 22 91 1.49 15 92 2.02 20 93 2.36 24 95 2.97 30 108 7.96 80 109 23.2 232 110 1.63 16 121 1.03 10 123 12.89 129 124 2.19 22 136 1.93 19 137 6.41 64 151 87.18 872 152 99.99 999 153 9.73 97 154 1 10 //