MassBank Record: JP009420



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

ACCESSION: JP009420
RECORD_TITLE: ORTHO-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$NAME: ORTHO-VANILLIN CH$NAME: 2-HYDROXY-3-METHOXYBENZALDEHYDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H8O3 CH$EXACT_MASS: 152.04734 CH$SMILES: O=Cc(c1)c(O)c(OC)cc1 CH$IUPAC: InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3 CH$LINK: INCHIKEY JJVNINGBHGBWJH-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$SPLASH: splash10-0pb9-8900000000-bbe3aaed58f67e9ab3be PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 15 20.19 202 26 2.25 23 27 5.61 56 29 21.5 215 30 2.09 21 31 1.73 17 32 2.99 30 37 1.99 20 38 4.28 43 39 11.16 112 40 1.2 12 41 1.56 16 49 1.78 18 50 11.13 111 51 17.27 173 52 15.65 157 53 19.21 192 54 2.4 24 55 14.68 147 61 3.24 32 62 6.5 65 63 15.81 158 64 7.21 72 65 19.18 192 66 6.64 66 67 4.41 44 69 1.09 11 73 1.05 11 74 4.15 42 75 3.85 39 76 19.69 197 77 17.81 178 78 13.06 131 79 11.17 112 80 9.66 97 81 49.88 499 82 3.31 33 85 1.13 11 91 2.57 26 92 11.05 111 93 12.82 128 94 4.29 43 95 7.42 74 104 4.15 42 105 16.77 168 106 72.13 721 107 12.64 126 108 16.33 163 109 52.18 522 110 4.76 48 115 1.31 13 119 1.56 16 120 7.68 77 121 36.35 364 122 22.11 221 123 8.91 89 124 3.61 36 133 2.93 29 134 3.27 33 135 1.24 12 136 6.41 64 137 5.79 58 151 19.73 197 152 99.99 999 153 10.23 102 154 1.26 13 //