MassBank Record: JP001146



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

ACCESSION: JP001146
RECORD_TITLE: PARA-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$NAME: PARA-CRESOL DEUTEROMETHYL ETHER CH$NAME: (2H3)METHYL PARA-TOLYL ETHER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H10O CH$EXACT_MASS: 122.07316 CH$SMILES: [2H]C([2H])([2H])Oc(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3/i2D3
AC$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-9100000000-de0304fdf5603ff649b8 PK$NUM_PEAK: 94 PK$PEAK: m/z int. rel.int. 15 10.7 107 16 7.6 76 17 10.7 107 18 10.7 107 26 10.7 107 27 25.9 259 28 64.1 641 29 23.3 233 30 13.8 138 31 19.8 198 32 17.6 176 33 4.6 46 37 8.4 84 38 17.6 176 39 41.2 412 40 10.7 107 41 19.8 198 42 10.7 107 43 19.8 198 44 10.7 107 45 17.6 176 46 7.6 76 47 4.6 46 48 4.6 46 49 6.9 69 50 36 360 51 56.5 565 52 34.4 344 53 25.9 259 54 7.6 76 55 13 130 56 10 100 57 10.7 107 58 8.4 84 59 7.6 76 60 6.1 61 61 10.7 107 62 17.6 176 63 32 320 64 13.8 138 65 39 390 66 10.7 107 67 9.2 92 68 6.1 61 69 9.2 92 70 6.1 61 71 7.6 76 72 6.1 61 73 12.2 122 74 13.8 138 75 11.4 114 76 10 100 77 99.99 999 78 41.2 412 79 64.1 641 80 13.8 138 81 9.2 92 82 3.3 33 83 3.8 38 84 3.3 33 85 3.8 38 86 9.2 92 87 9.2 92 88 6.9 69 89 12.2 122 90 10 100 91 27.5 275 92 19.8 198 93 15.3 153 94 9.2 92 95 15.3 153 96 3.8 38 97 3.3 33 98 3.3 33 99 3.3 33 100 2.3 23 101 2.3 23 102 3.3 33 103 3.8 38 104 3.3 33 105 15.3 153 106 6.9 69 107 42.8 428 108 21.4 214 109 10 100 110 10.7 107 111 9.2 92 115 3.3 33 121 9.2 92 122 17.6 176 123 35.1 351 124 44.3 443 125 26.7 267 126 2.1 21 //