MassBank Record: JP002806



 METHYL 4-HYDROXYBENZOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002806
RECORD_TITLE: METHYL 4-HYDROXYBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 4-HYDROXYBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H8O3 CH$EXACT_MASS: 152.04734 CH$SMILES: COC(=O)c(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
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: splash10-00di-5900000000-f3eccc0d6c2c948bd57b PK$NUM_PEAK: 74 PK$PEAK: m/z int. rel.int. 14 0.1 1 15 1.3 13 17 0.1 1 18 0.06 1 26 0.2 2 27 0.5 5 28 1.7 17 29 0.08 1 30 0.1 1 31 0.4 4 32 0.4 4 35 0.03 0 36 2.3 23 37 0.9 9 38 2.9 29 39 1.06 11 40 0.4 4 41 0.4 4 42 0.2 2 43 0.03 0 44 0.1 1 45 0.1 1 46 0.4 4 47 0.01 0 49 0.2 2 50 1.4 14 51 1 10 52 0.04 0 53 2.5 25 54 0.2 2 55 0.3 3 59 0.04 0 60 0.2 2 61 0.8 8 62 2 20 63 0.45 5 64 2.7 27 65 16.6 166 66 1.7 17 67 0.03 0 69 0.1 1 73 0.2 2 74 0.8 8 75 0.06 1 76 0.2 2 77 0.4 4 78 0.1 1 79 0.04 0 80 0.3 3 81 0.2 2 82 0.1 1 90 0.01 0 91 0.3 3 92 2.1 21 93 21.5 215 94 0.17 2 95 0.6 6 105 0.1 1 107 0.5 5 108 0.03 0 109 0.3 3 119 0.2 2 120 0.9 9 121 99.99 999 122 8.2 82 123 1.3 13 124 0.1 1 135 0.02 0 136 0.2 2 150 0.1 1 151 1.9 19 152 3.69 37 153 3.4 34 154 0.4 4 //