MassBank Record: JP001144



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

ACCESSION: JP001144
RECORD_TITLE: META-CRESOL DEUTEROMETHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: META-CRESOL DEUTEROMETHYL ETHER CH$NAME: (2H3)METHYL META-TOLYL ETHER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H10O CH$EXACT_MASS: 122.07316 CH$SMILES: [2H]C([2H])([2H])Oc(c1)cc(C)cc1 CH$IUPAC: InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3/i2D3
AC$INSTRUMENT: HITACHI RMS-4 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-9200000000-619dbf910b1052c8b0b3 PK$NUM_PEAK: 85 PK$PEAK: m/z int. rel.int. 15 4.2 42 16 13.2 132 17 15.4 154 26 4.8 48 27 16.4 164 28 9 90 29 9.5 95 30 5.8 58 31 3.2 32 32 3.7 37 37 7.4 74 38 16.9 169 39 46.6 466 40 6.9 69 41 18.5 185 42 5.3 53 43 10.6 106 44 3.2 32 45 3.2 32 46 3.2 32 47 3.2 32 48 3.2 32 49 5.3 53 50 30.2 302 51 46.6 466 52 29.1 291 53 23.8 238 54 4.8 48 55 11.6 116 56 4.8 48 57 6.9 69 58 3.7 37 59 2.6 26 60 2.6 26 61 7.9 79 62 15.9 159 63 31.4 314 64 12.2 122 65 23.8 238 66 9 90 67 7.4 74 68 4.2 42 69 8.5 85 70 3.7 37 71 4.8 48 73 4.2 42 74 9.5 95 75 6.9 69 76 6.9 69 77 99.99 999 78 44.5 445 79 71.5 715 80 13.2 132 81 10 100 82 6.9 69 83 6.4 64 84 2.6 26 85 4.2 42 86 4.7 47 87 4.2 42 89 10.6 106 90 10.6 106 91 43.9 439 92 44.4 444 93 25.4 254 94 7.9 79 95 8.5 85 96 4.8 48 97 4.8 48 98 2.6 26 105 6.4 64 106 26 260 107 40.8 408 108 28.6 286 109 8.5 85 110 3.7 37 111 3.2 32 115 4.2 42 121 6.4 64 122 12.7 127 123 23.8 238 124 46.6 466 125 47.6 476 126 5.8 58 127 3.2 32 //