MassBank Record: MSJ00072



 2-Nitrophenyl octyl ether; FAB-BE; MS; Positive; Matrix 2-Nitrophenyl octyl ether 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ00072
RECORD_TITLE: 2-Nitrophenyl octyl ether; FAB-BE; MS; Positive; Matrix 2-Nitrophenyl octyl ether
DATE: 2018.02.01
AUTHORS: , Rika Miyake, Graduate School of Engineering Science, Osaka University
LICENSE: CC BY
COPYRIGHT: Rika Miyake, Graduate School of Engineering Science, Osaka University
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
COMMENT: Sample was injected by flow injection

CH$NAME: 2-Nitrophenyl octyl ether CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C14H21NO3 CH$EXACT_MASS: 251.15214 CH$SMILES: CCCCCCCCOc(c1)c(ccc1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C14H21NO3/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3 CH$LINK: CHEMSPIDER 148623 CH$LINK: INCHIKEY CXVOIIMJZFREMM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:169952 CH$LINK: COMPTOX DTXSID3068047
AC$INSTRUMENT: JMS-700, JEOL AC$INSTRUMENT_TYPE: FAB-BE AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION FAB AC$MASS_SPECTROMETRY: LASER Xe 6 keV AC$MASS_SPECTROMETRY: MATRIX 2-Nitrophenyl octyl ether AC$MASS_SPECTROMETRY: RESOLUTION_SETTING 2000 AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 1, 2000
PK$SPLASH: splash10-0596-9520000000-600ba2aa97700d917ad1 PK$NUM_PEAK: 113 PK$PEAK: m/z int. rel.int. 26 9136 12 27 105456 138 28 13520 18 29 172992 226 39 109728 144 40 13024 17 41 408784 535 42 39312 51 43 565824 740 44 20096 26 50 10320 14 51 39872 52 52 20224 26 53 45328 59 54 17184 22 55 376480 492 56 51680 68 57 763664 999 58 31776 42 63 24144 32 64 18400 24 65 60176 79 66 22112 29 67 72928 95 68 14880 19 69 394128 516 70 57056 75 71 594048 777 72 34800 46 73 10448 14 75 8672 11 76 10608 14 77 67072 88 78 123136 161 79 89488 117 80 23920 31 81 35696 47 82 14128 18 83 53600 70 84 19680 26 85 9648 13 89 14656 19 90 10160 13 91 42752 56 92 51728 68 93 36720 48 94 163424 214 95 66320 87 96 23584 31 97 10848 14 103 11856 16 104 8272 11 105 38432 50 106 141184 185 107 70016 92 108 51968 68 109 57264 75 110 35632 47 111 118144 155 112 105680 138 113 35472 46 115 18048 24 116 7856 10 117 8768 11 118 9328 12 119 14896 19 120 56544 74 121 20016 26 122 403920 528 123 439888 575 124 250080 327 125 63840 84 127 14544 19 128 10816 14 131 14848 19 132 11840 15 133 25088 33 134 16128 21 135 12224 16 136 22112 29 137 13904 18 139 49456 65 140 628672 822 141 58528 77 142 13008 17 146 12080 16 147 11008 14 148 11216 15 152 59632 78 153 14624 19 154 22288 29 155 10656 14 156 8224 11 166 7728 10 206 30096 39 217 12608 16 218 17312 23 219 9680 13 220 8672 11 222 10864 14 233 9616 13 234 20928 27 235 168272 220 236 117904 154 237 40656 53 250 90288 118 251 108928 142 252 419232 548 253 117104 153 254 21440 28 264 8720 11 265 8240 11 364 8576 11 //

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